PUBLICATIONS of KRZYSZTOF SZALEWICZ 1. G. Chalasinski, B. Jeziorski, and K. Szalewicz “On the Convergence Properties of the Ra

PUBLICATIONS OF KRZYSZTOF SZALEWICZ

1. G. Chalasinski, B. Jeziorski, and K. Szalewicz “On the Convergence Properties of the Rayleigh- Schrödinger and Hirschfelder-Silbey Perturbation Expansions for Molecular Interaction Ener- gies”, Int. J. Quantum Chem. 11, 247–257 (1977). 2. G. Chalasinski, B. Jeziorski, J. Andzelm, and K. Szalewicz “On the Multipole Structure of Exchange Dispersion Energy in the Interaction of Two Helium Atoms”, Mol. Phys. 33, 971–977 (1977). 3. B. Jeziorski, K. Szalewicz, and G. Chalasinski “Symmetry Forcing and Convergence Properties of Perturbation Expansions for Molecular Interaction Energies”, Int. J. Quantum Chem. 14, 271–287 (1978). 4. B. Jeziorski, K. Szalewicz, and M. Jaszunski “Pade Approximants and the Convergence Problem in the Perturbation Theory of Intermolecular Interactions”, Chem. Phys. Lett. 61, 391–395 (1979). 5. K. Szalewicz, L. Adamowicz, and A.J. Sadlej “Molecular Electric Polarizabilities. CI and Ex- plicitly Correlated Electric-Field-Variant Functions. Calculation of the Polarizability of H2”, Chem. Phys. Lett. 61, 548–552 (1979). 6. B. Jeziorski and K. Szalewicz “High-Accuracy Compton Profile of Molecular Hydrogen from Explicitly Correlated Gaussian Wave Function”, Phys. Rev. A 19, 2360–2365 (1979). 7. K. Szalewicz and B. Jeziorski “Symmetry-Adapted Double-Perturbation Analysis of Intramolec- ular Correlation Effects in Weak Intermolecular Interactions”, Mol. Phys. 38, 191–208 (1979). 8. G. Chalasinski and K. Szalewicz “Degenerate Symmetry-Adapted Perturbation Theory. Con- + vergence Properties of Perturbation Expansions for Excited States of H2 Ion”, Int. J. Quantum Chem. 18, 1071–1089 (1980). 9. B. Jeziorski, W.A. Schwalm, and K. Szalewicz “Analytic Continuation in Exchange Perturbation Theory”, J. Chem. Phys. 73, 6215–6224 (1980). 10. H.J. Monkhorst and K. Szalewicz “Wavefunctions in Momentum Space. I. Iterative Computation for the Helium Atom in the Hartree-Fock Approximation”, J. Chem. Phys. 75, 5782–5784 (1981). 11. K. Szalewicz and H.J. Monkhorst “On Application of 0s Orbitals in SCF Calculations”, J. Chem. Phys. 75, 5785–5788 (1981). 12. W. Kolos, H.J. Monkhorst, and K. Szalewicz, “Energy Unresolved Differential Cross Section for Electron Scattering by H2”, J. Chem. Phys. 77, 1323–1334 (1982). 13. W. Kolos, H.J. Monkhorst, and K. Szalewicz “Inelastic High-Energy Electron Scattering from Hydrogen Molecule. I. X-B and X-E Transitions”, J. Chem. Phys. 77, 1335–1344 (1982). 14. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, and J.G. Zabolitzky “A New Functional for Varia- tional Calculation of Atomic and Molecular Second- Order Correlation Energies”, Chem. Phys. Lett. 91, 169–172 (1982). 15. W. Kolos, H.J. Monkhorst, and K. Szalewicz “Generalized Oscillator Strengths for X-B Transi- tions in the Hydrogen Molecule”, At. Data Nucl. Data Tables 28, 239-263 (1983). 16. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, and J.G. Zabolitzky “Atomic and Molecular Cor- relation Energies with Explicitly Correlated Gaussian Geminals. I. Second-Order Perturbation Treatment for He, Be, H2, and LiH”, J. Chem. Phys. 78, 1420-1430 (1983).

1 17. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, and J.G. Zabolitzky “Atomic and Molecular Cor- relation Energies with Explicitly Correlated Gaussian Geminals. II. Perturbation Treatment Through Third Order for He, Be, H2, and LiH”, J. Chem. Phys. 79, 5543-5552 (1983).

18. B. Jeziorski, H.J. Monkhorst, K. Szalewicz, and J.G. Zabolitzky “Coupled Cluster Approach with Explicitly Correlated Cluster Functions” in Recent Progress in Many Body Theory, ed. by H. K¨ummel and M.L. Ristig, Springer-Verlag, New York, Lect. Notes Phys. 198, 279-288 (1984).

19. K. Szalewicz, W. Kolos, H.J. Monkhorst, and C. Jackson “Eﬀect of Vibrations on the Energy Unresolved Electron Scattering by H2 and D2”, J. Chem. Phys. 80, 1435-1439 (1984).

20. B. Jeziorski, H.J. Monkhorst, K. Szalewicz, and J.G. Zabolitzky “Atomic and Molecular Corre- lation Energies with Explicitly Correlated Gaussian Geminals. III. Coupled Cluster Treatment for He, Be, H2, and LiH”, J. Chem. Phys. 81, 368-388 (1984).

21. K. Szalewicz, J.G. Zabolitzky, B. Jeziorski, and H.J. Monkhorst “Atomic and Molecular Cor- relation Energies with Explicitly Correlated Gaussian Geminals. IV. A Simpliﬁed Treatment of Strong Orthogonality in MBPT and Coupled Cluster Calculations”, J. Chem. Phys. 81, 2723-2731 (1984).

22. W. Kolos, B. Jeziorski, K. Szalewicz, and H.J. Monkhorst “Molecular Eﬀects in Tritium β Decay. Transitions to the Discrete Electronic States of the HeT+ Molecule”, Phys. Rev. A 31, 551-555 (1985).

23. W. Kolos, B. Jeziorski, H.J. Monkhorst, and K. Szalewicz “Quantum Chemical Contribution to Electron Neutrino Mass Determination”, Int. J. Quantum Chem. S 19, 421-441 (1986). 24. B. Jeziorski, W. Kolos, K. Szalewicz, O. Fackler, and H.J. Monkhorst “Molecular Eﬀects in Tritium β Decay. II. Rotation-Vibration Excitation, Dissociation and Rotational Predissociation in the Decay of the T2 and TH Molecules”, Phys. Rev. A 32, 2573-2583 (1985).

25. O. Fackler, B. Jeziorski, W. Kolos, H.J. Monkhorst, and K. Szalewicz “Accurate Theoretical β- Decay Energy Spectrum of Tritium Molecule and Its Neutrino Mass Dependence”, Phys. Rev. Lett. 55, 1388-1391 (1985).

26. O. Fackler, B. Jeziorski, W. Kolos, H.J. Monkhorst, M. Mugge, H. Sticker, K. Szalewicz, R.M. White, and R. Woerner “An Experiment to Measure the Electron Neutrino Mass Using Frozen Tritium”, in Proceedings of the Twentieth Moriond Workshop on Perspectives of Electroweak Interactions, ed. J. Tran Thanh Van, Edition Frontiers, Paris 1985, p. 313-321.

27. W. Kolos, K. Szalewicz, and H.J. Monkhorst “New Born-Oppenheimer Potential Energy Curve and Vibrational Energies for the Electronic Ground State of the Hydrogen Molecule”, J. Chem. Phys. 84, 3278-3283 (1986).

28. S.J. Cole, K. Szalewicz, and R.J. Bartlett “Nitromethane Dimer Potential Energy Surface Stud- ies”, Int. J. Quantum Chem. 30, 695-711 (1986).

29. S.J. Cole, K. Szalewicz, G.D. Purvis, and R.J. Bartlett “Correlated Calculations of the Interac- tion in Nitromethane Dimer”, J. Chem. Phys. 84, 6833-6836 (1986).

30. K.B. Wenzel, J.G. Zabolitzky, K. Szalewicz, B. Jeziorski, and H.J. Monkhorst “Atomic and Molecular Correlation Energies with Explicitly Correlated Gaussian Geminals. V. Cartesian Gaussian Geminals and the Neon Atom”, J. Chem. Phys. 85, 3964-3974 (1986). 31. O. Fackler, B. Jeziorski, W. Kolos, H.J. Monkhorst, M. Mugge, and K. Szalewicz “Molecular Eﬀects in the Neutrino Mass Determination from β-Decay of the Tritium Molecule” in Proceed- ings of the Sixth Moriond Workshop on Massive Neutrinos in Astrophysics and Particle Physics, ed. O. Fackler and J. Tran Thanh Van, Edition Frontiers, Paris 1986, p. 517-527.

2 32. S.A. Alexander, H.J. Monkhorst, and K. Szalewicz “Random Tempering of Gaussian Type Geminals. I. Atomic Systems”, J. Chem. Phys. 85, 5821-5825 (1986). 33. K. Szalewicz Numerical and Statistical Methods for Chemists (textbook, 266 pages, in Polish), Warsaw University Press, Warsaw 1987. 34. K. Szalewicz, O. Fackler, B. Jeziorski, W. Kolos, and H.J. Monkhorst “Molecular Effects in Tritium β Decay. III. Electronic Resonances of HeT+ Ion and the Dependence of the Neutrino Mass on Accuracy of the Theoretical Model”, Phys. Rev. A 35, 965-979 (1987). 35. S. Rybak, K. Szalewicz, B. Jeziorski, and M. Jaszunski “Intraatomic Correlation Effects for the He-He Dispersion and Exchange Dispersion Energies Using Explicitly Correlated Gaussian Geminals”, J. Chem. Phys. 86, 5652-5659 (1987). 36. R. Moszynski and K. Szalewicz “Accurate Electron Densities of Hydrogen Molecule”, J. Phys. B 20, 4347-4364 (1987). 37. P. Froelich, K. Szalewicz, B. Jeziorski, W. Kolos, and H.J. Monkhorst “Electronic Resonances of HeT+ Resulting from the β-Decay of Tritium Molecule”, J. Phys. B 20, 6173-6187 (1987). 38. S.A. Alexander, H.J. Monkhorst, and K. Szalewicz “Random Tempering of Gaussian Type Geminals. II. Molecular Systems”, J. Chem. Phys. 87, 3976-3980 (1987). 39. K. Szalewicz, H.J. Monkhorst, W. Kolos, and A. Scrinzi “Variational Calculation of the Energy Levels for the tdµ Ion”, Phys. Rev. A (Rapid Comm.) 36, 5494-5497 (1987). 40. S.E. Haywood, H.J. Monkhorst, and K. Szalewicz “Variational Sticking Fraction Calculations for Ground State of tdµ Ion”, Phys. Rev. A 37, 3393-3398 (1988). 41. S.A. Alexander, H.J. Monkhorst, and K. Szalewicz “Random Tempering of Gaussian Type Geminals. III. Coupled Pair Calculations”, J. Chem. Phys. 89, 355-359 (1988). 42. P. Froelich and K. Szalewicz “Three-Body Resonances of tdµ Above tµ Threshold”, Muon Cat- alyzed Fusion 3, 345-350 (1988). 43. W. Kolos, B. Jeziorski, J. Rychlewski, K. Szalewicz, H.J. Monkhorst, and O. Fackler “Molecular Effects in Tritium β-Decay. IV. Effect of Crystal Excitations on Neutrino Mass Determination”, Phys. Rev. A 37, 2297-2303 (1988). 44. K. Szalewicz, S.J. Cole, W. Kolos, and R.J. Bartlett “A Theoretical Study of the Water Dimer Interaction”, J. Chem. Phys. 89, 3662-3673 (1988). 45. A. Scrinzi, K. Szalewicz, and H.J. Monkhorst “Nonadiabatic Corrections to the Energy Levels of Hydrogen-Like Muonic Molecules”, Phys. Rev. A 37, 2270-2276 (1988). 46. P. Froelich and K. Szalewicz “Three-Body Resonances of tdµ above dµ Threshold”, Phys. Lett. A 129, 321-325 (1988). 47. S.A. Alexander, H.J. Monkhorst, and K. Szalewicz “A Comparison of Muonic Molecular Calcu- lations”, in Muon Catalyzed Fusion, edited by S.E. Jones, J. Rafelski, and H.J. Monkhorst, AIP Conf. Proc. Series, Vol. 181, New York 1989, pp. 246-258. 48. P. Froelich, K. Szalewicz, H.J. Monkhorst, W. Kolos, and B. Jeziorski “Some Properties of Three-Body Resonances Related to Muon Catalyzed Fusion”, in Muon Catalyzed Fusion, edited by S.E. Jones, J. Rafelski, and H.J. Monkhorst, AIP Conf. Proc. Series, Vol. 181, New York 1989, pp. 259-273. 49. K. Szalewicz, S.A. Alexander, P. Froelich, S.E. Haywood, B. Jeziorski, W. Kolos, H.J. Monkhorst, A. Scrinzi, C.D. Stodden, A. Velenik, and X. Zhao “Theoretical Description of Muonic Molecular Ions”, in Muon Catalyzed Fusion, edited by S.E. Jones, J. Rafelski, and H.J. Monkhorst, AIP Conf. Proc. Series, Vol. 181, New York 1989, pp. 274-288.

3 50. C.D. Stodden, H.J. Monkhorst, and K. Szalewicz “Estimation of Error in Using Born Scaling for Collision Cross Sections Involving Muonic Ions”, in Muon Catalyzed Fusion, edited by S.E. Jones, J. Rafelski, and H.J. Monkhorst, AIP Conf. Proc. Series, Vol. 181, New York 1989, pp. 388-391.

51. B. Jeziorski, R. Moszynski, S. Rybak, and K. Szalewicz “Many-Body Theory of Van der Waals Interactions”, in Many-Body Methods in Quantum Chemistry, edited by U. Kaldor, Lecture Notes in Chemistry, Vol. 52, Springer-Verlag, New York 1989, pp. 65–95.

52. S.E. Haywood, H.J. Monkhorst, and K. Szalewicz “Variational Sticking Fraction Calculations for Excited States of tdµ Ion”, Phys. Rev. A 39, 1634–1638 (1989).

53. A. Scrinzi and K. Szalewicz “Auger Transition Rates for the Muonic Molecular Ion tdµ”, Phys. Rev. A 39, 2855–2861 (1989).

54. A. Scrinzi and K. Szalewicz “Energy Shift in the [(tdµ)e] System Due to the Finite Size of the Muonic Molecular Ion”, Phys. Rev. A 39, 4983–4990 (1989).

55. K. Szalewicz, J.D. Morgan III, and H.J. Monkhorst “Fusion Rates for Hydrogen Isotopic Molecules of Relevance for Cold Fusion”, Phys. Rev. A (Rapid Comm.) 40, 2824–2827 (1989).

56. S. Rybak, K. Szalewicz, and B. Jeziorski “An Accurate Calculation of the First-Order Interaction Energy for Helium Dimer”, J. Chem. Phys. 91, 4779–4784 (1989).

57. C.D. Stodden, H.J. Monkhorst, K. Szalewicz, and T.G. Winter “Muon Reactivation in Muon Catalyzed d − t Fusion from Accurate p-He+ Stripping and Excitation Cross Sections”, Phys. Rev. A 41, 1281–1292 (1990).

58. K. Sohlberg and K. Szalewicz “Fusion Rates for Deuterium in Titanium Clusters”, Phys. Lett. A 144, 365–370 (1990).

59. P. Jankowski, B. Jeziorski, S. Rybak, and K. Szalewicz “Perturbation Analysis of the First-Order Exchange Energy for the Helium Dimer”, J. Chem. Phys. 92, 7441–7447 (1990).

60. S.A. Alexander, H.J. Monkhorst, R.D. Roeland, and K. Szalewicz “Obtaining Microhartree Ac- curacy in Variational Calculations for Two-Electron Systems with Random-Tempered Gaussian- Type Geminals”, J. Chem. Phys. 93, 4230–4235 (1990).

61. K. Szalewicz, B. Jeziorski, A. Scrinzi, X. Zhao, R. Moszynski, W. Kolos, P. Froelich, H.J. Monkhorst, and A. Velenik “Eﬀects of Nuclear Forces in Muon Catalyzed Fusion. Nonadiabatic Treatment of Energy Shifts and Fusion Rates for S States of tdµ”, Phys. Rev. A 42, 3768–3778 (1990).

62. K. Szalewicz and B. Jeziorski “Eﬀects of Nuclear Forces in Muon Catalyzed Fusion. Fusion Rates and Sticking Fractions for tdµ”, Muon Cat. Fusion 5, 241–248 (1990).

63. B. Jeziorski and K. Szalewicz “Phase-Space Calculation of the Three-Particle Decay Rate of tdµ and the Sudden Approximation Theory of Sticking in Muon Catalyzed Fusion”, Phys. Lett. A 152, 240–244 (1991).

64. B. Jeziorski, K. Szalewicz, A. Scrinzi, X. Zhao, R. Moszynski, W. Kolos, and A. Velenik “Muon Sticking Fractions for S States of tdµ Ion Including the Eﬀects of Nuclear Interactions”, Phys. Rev. A (Rapid Comm.) 43, 1640–1643 (1991).

65. K. Sohlberg, J.F. Futrell, and K. Szalewicz “The Role of Symmetry in Collisions of N2 with + N2 ”, J. Chem. Phys. 94, 6500–6507 (1991). 66. S. Rybak, B. Jeziorski, and K. Szalewicz “Symmetry-Adapted Perturbation Theory of Inter- molecular Interactions. H2O and HF Dimers”, J. Chem. Phys. 95, 6576–6601 (1991).

4 67. K. Szalewicz, B. Jeziorski, and S. Rybak “Perturbation Theory Calculations of Intermolecular Interaction Energies”, Int. J. Quantum Chem. Quantum Biol. Symp. 18, 23–36 (1991). 68. K. Szalewicz and B. Jeziorski “Nonadiabatic Calculations for tdµ Relevant for Muon Catalyzed Fusion”, Int. J. Quantum Chem. Symp. 25, 671–686 (1991). 69. T. Cwiok, B. Jeziorski, W. Kolos, R. Moszynski, J. Rychlewski, and K. Szalewicz “Convergence Properties and Large-Order Behavior of the Polarization Expansion for the Interaction Energy of Hydrogen Atoms”, Chem. Phys. Lett. 195, 67–76 (1992). 70. T. Cwiok, B. Jeziorski, W. Kolos, R. Moszynski, and K. Szalewicz “On the Convergence of the Symmetrized Rayleigh-Schrödinger Perturbation Theory for Molecular Interaction Energies”, J. Chem. Phys. 97, 7555–7559 (1992). 71. S. Rybak, K. Szalewicz, B. Jeziorski, and G. Corongiu “Symmetry-Adapted Perturbation Theory Calculations of Uracil-Water Interaction Energy”, Chem. Phys. Lett. 199, 567–573 (1992). 72. R. Moszynski, B. Jeziorski, and K. Szalewicz “Many-Body Symmetry Adapted Perturbation Theory Study of the He-F− Interaction”, Chem. Phys. 166, 329–339 (1992). 73. H.L. Williams, K. Szalewicz, B. Jeziorski, R. Moszynski, and S. Rybak “Symmetry-Adapted Perturbation Theory Calculations of the Ar-H2 Intermolecular Potential Energy Surface”, J. Chem. Phys. 98, 1279-1292 (1993). 74. R. Moszynski, B. Jeziorski, and K. Szalewicz “Møller-Plesset Expansion of the Dispersion Energy in the Ring Approximation”, Int. J. Quantum Chem. 45, 409–432 (1993). 75. B. Jeziorski, R. Moszynski, A. Ratkiewicz, S. Rybak, K. Szalewicz, and H.L. Williams “SAPT: A Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecu- lar Interaction Energies”, in Methods and Techniques in Computational Chemistry: METECC- 94, edited by E. Clementi, STEF, Cagliari, 1993, Vol. B, p. 79. 76. B. Jeziorski, R. Moszynski, A. Ratkiewicz, S. Rybak, K. Szalewicz, and H.L. Williams “SAPT: A Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolec- ular Interaction Energies – Input/output documentation”, in Methods and Techniques in Computational Chemistry: METECC-94, edited by E. Clementi, STEF, Cagliari, 1993. 77. P. Froelich, B. Jeziorski, W. Kolos, H.J. Monkhorst, A. Saenz, and K. Szalewicz “Probabil- ity Distribution of Excitations to the Electronic Continuum Following the β-Decay of the T2 Molecule”, Phys. Rev. Lett. 71, 2871–2874 (1993). 78. K. Szalewicz “Non-adiabatic Basis Set Expansion Methods for Muonic Molecular Ions”, in Pro- ceedings of the International Workshop on Low Energy Muon Science (LEMS’93), edited by M. Leon, Los Alamos Publication LA-12698-C, 1993, pp. 237–252. 79. R. Moszynski, B. Jeziorski, and K. Szalewicz “Many-Body Theory of Exchange Effects in Inter- molecular Interactions. Second-Quantization Approach and Comparison with Full CI Results”, J. Chem. Phys. 100, 1312–1325 (1994). 80. R. Bukowski, B. Jeziorski, and K. Szalewicz “New Effective Strategy of Generating Gaussian- type Geminal Basis Sets for Correlation Energy Calculations”, J. Chem. Phys. 100, 1366–1374 (1994). 81. T. Cwiok, B. Jeziorski, W. Kolos, R. Moszynski, and K. Szalewicz “Symmetry-Adapted Pertur- bation Theory of Potential Energy Surfaces for Weakly Bound Molecular Complexes”, J. Mol. Struct. (Theochem) 307 [J. Mol. Str. 113], 135–151 (1994). 82. R. Moszynski, B. Jeziorski, S. Rybak, K. Szalewicz, and H.L. Williams “Many-Body Theory of Exchange Effects in Intermolecular Interactions. Density Matrix Approach and Applications to − He–F , He–HF, H2–HF, and Ar–H2 Dimers”, J. Chem. Phys. 100, 5080–5093 (1994).

5 83. P. Froelich, A. Flores-Riveros, J. Wallenius, and K. Szalewicz “Fusion in Flight from the Molec- ular Continuum of dtµ”, Phys. Lett. A 189, 307–315 (1994). 84. B. Jeziorski, R. Moszynski, and K. Szalewicz “Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes”, Chem. Rev. 94, 1887–1930 (1994). 85. R. Bukowski, B. Jeziorski, S. Rybak, and K. Szalewicz “Second-order Correlation Energy Cal- culations for H2O Using Explicitly Correlated Gaussian-type Geminals”, J. Chem. Phys. 102, 888–897 (1995). 86. H.L. Williams, K. Szalewicz, R. Moszynski, and B. Jeziorski “Dispersion Energy in the Coupled Pair Approximation with Noniterative Inclusion of Single and Triple Excitations”, J. Chem. Phys. 103, 4586–4599 (1995). 87. V.F. Lotrich, H.L. Williams, K. Szalewicz, B. Jeziorski, R. Moszynski, P.E.S. Wormer, and A. van der Avoird “Intermolecular Potential and Rovibrational Levels of Ar–HF from Symmetry- Adapted Perturbation Theory”, J. Chem. Phys. 103, 6076–6092 (1995). 88. H.L. Williams, E.M. Mas, K. Szalewicz, and B. Jeziorski “On the Eﬀectiveness of Monomer-, Dimer-, and Bond-Centered Basis Functions in Calculations of Intermolecular Interaction Ener- gies”, J. Chem. Phys. 103, 7374–7391 (1995). 89. R. Bukowski, B. Jeziorski, and K. Szalewicz “Basis Set Superposition Problem in Interaction Energy Calculations with Explicitly Correlated Bases. Saturated Second- and Third-Order Energies for He2”, J. Chem. Phys. 104, 3306–3319 (1996). 90. E.M. Mas and K. Szalewicz “Eﬀects of Monomer Geometry and Basis Set Saturation on Depth of Water Dimer Potential”, J. Chem. Phys. 104, 7606–7614 (1996). 91. K. Sohlberg and K. Szalewicz “Dynamical Coupling in the Diatom Vibrational Motions in Col- + lisions of N2 with N2 ”, Chem. Phys. 206, 87–101 (1996). 92. H.L. Williams, T. Korona, R. Bukowski, B. Jeziorski, and K. Szalewicz “Helium Dimer Potential from Symmetry-Adapted Perturbation Theory”, Chem. Phys. Lett. 262, 431–436 (1996). 93. K. Szalewicz and B. Jeziorski “Symmetry-Adapted Perturbation Theory of Intermolecular Inter- actions”, in Molecular Interactions – From van der Waals to Strongly Bound Complexes, edited by S. Scheiner, Wiley, Chichester, 1997, p. 3–43. 94. B. Jeziorski, R. Bukowski, and K. Szalewicz “Completeness Criteria for Explicitly Correlated Gaussian Geminal Bases of Axial Symmetry”, Int. J. Quantum Chem. 61, 769–776 (1997). 95. T. Korona, H.L. Williams, R. Bukowski, B. Jeziorski, and K. Szalewicz “Symmetry-Adapted Perturbation Theory Calculation of He–He Interaction Energy”, J. Chem. Phys. 106, 5109– 5122 (1997). 96. V.F. Lotrich and K. Szalewicz “Symmetry-Adapted Perturbation Theory of Three-Body Non- additivity of Intermolecular Interaction Energy”, J. Chem. Phys. 106, 9668–9687 (1997). 97. V.F. Lotrich and K. Szalewicz “Symmetry-Adapted Perturbation Theory of Three-Body Non- additivity in Ar Trimer”, J. Chem. Phys. 106, 9688–9702 (1997). 98. E.M. Mas, K. Szalewicz, R. Bukowski, and B. Jeziorski “Pair Potential for Water from Symmetry- Adapted Perturbation Theory” J. Chem. Phys. 107, 4207–4218 (1997). 99. V.F. Lotrich and K. Szalewicz “Three-Body Contribution to Binding Energy of Solid Argon and Analysis of Crystal Structure”, Phys. Rev. Lett. 79, 1301–1304 (1997). 100. J. Komasa, K. Szalewicz, and J. Leszczynski “Does the Methyl Group Form a Hydrogen Bond? Ab Initio Post-Hartree-Fock Study on Ethane–Hydrogen Cyanide Complex”, Chem. Phys. Lett. 285, 449–454 (1998).

6 101. V.F. Lotrich, P. Jankowski, and K. Szalewicz “Symmetry-Adapted Perturbation Theory of Three-Body Nonadditivity in Ar2HF Trimer” J. Chem. Phys. 108, 4725–4738 (1998).

102. P. Jankowski and K. Szalewicz “ Ab initio Potential Energy Surface and Infrared Spectra of H2-CO and D2-CO van der Waals Complexes”, J. Chem. Phys. 108, 3554–3565 (1998).

103. R. Bukowski, B. Jeziorski, and K. Szalewicz “Analytic First-Order Properties from Explicitly Correlated Many-Body Perturbation Theory and Gaussian Geminal Basis”, J. Chem. Phys. 108, 7946–7958 (1998).

104. K. Szalewicz and B. Jeziorski “Comment on ‘On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy’ [J. Chem. Phys. 104, 8821 (1996)]”, J. Chem. Phys. 109, 1198–1200 (1998).

105. V. F. Lotrich, K. Szalewicz, and B. Jeziorski “Multiple Electron Exchanges in Calculation of Pairwise Nonadditive Contribution to Trimer Interaction Energy”, Polish J. Chem. 72, 1826– 1848 (1998).

106. B. Jeziorski and K. Szalewicz “Intermolecular Interactions by Perturbation Theory”, in Ency- clopedia of Computational Chemistry, edited by P. von Ragu´eSchleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, Wiley, Chichester, UK, 1998, vol. 2, pp. 1376–1398. 107. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S. A. Kucharski, H. L. Williams, and B. M. Rice “Intermolecular Potential of Carbon Dioxide Dimer from Symmetry-Adapted Perturbation Theory”, J. Chem. Phys. 110, 3785–3803 (1999).

108. R. Bukowski, B. Jeziorski, and K. Szalewicz “Gaussian Geminals in Explicitly Correlated Cou- pled Cluster Theory Including Single and Double Excitations”, J. Chem. Phys. 110, 4165–4183 (1999).

109. E. M. Mas, V. F. Lotrich, and K. Szalewicz “Third Virial Coeﬃcient for Argon”, J. Chem. Phys. 110, 6694–6701 (1999).

110. R. Bukowski, K. Szalewicz, and C. Chabalowski “Ab initio interaction potentials for simulations of dimethylnitramine solutions in supercritical carbon dioxide with cosolvents”, J. Phys. Chem. A 103, 7322–7340 (1999).

111. V. F. Lotrich and K. Szalewicz “Perturbation Theory of Three-Body Exchange Nonadditivity and Application to Helium Trimer”, J. Chem. Phys. 112, 112–121 (2000).

112. A. J. Misquitta, R. Bukowski, and K. Szalewicz “Spectra of Ar–CO2 from ab initio potential energy surfaces”, J. Chem. Phys. 112, 5308–5319 (2000).

113. D. Bakalov, B. Jeziorski, T. Korona, K. Szalewicz, and E. Tchoukova “Density shift and broad- ening of transition lines in antiprotonic helium”, Phys. Rev. Lett. 84, 2350–2353 (2000). 114. G. C. Groenenboom, E. M. Mas, R. Bukowski, K. Szalewicz, P. E. S. Wormer, and A. van der Avoird “The pair and three-body potential of water”, Phys. Rev. Lett. 84, 4072–4075 (2000).

115. M. Jeziorska, P. Jankowski, B. Jeziorski, and K. Szalewicz, “On the Optimal Choice of Monomer Geometry in Calculations of Intermolecular Potentials. Rovibrational Spectrum of Ar–HF Gen- erated from Two- and Three-Dimensional SAPT Potentials”, J. Chem. Phys. 113, 2957–2968 (2000).

116. E.M. Mas, R. Bukowski, K. Szalewicz, G.C. Groenenboom, P.E.S. Wormer, and A. van der Avoird “Water Pair Potential of Near Spectroscopic Accuracy. I. Analysis of Potential Surface and Virial Coeﬃcients”, J. Chem. Phys. 113, 6687–6701 (2000).

7 117. G.C. Groenenboom, P.E.S. Wormer, A. van der Avoird, E.M. Mas, R. Bukowski, and K. Sza- lewicz “Water Pair Potential of Near Spectroscopic Accuracy: II. Vibration-Rotation-Tunneling Levels of the Water Dimer”, J. Chem. Phys. 113, 6702–6715 (2000).

118. D. Bakalov, M. Stoilov, E. Tchoukova, B. Jeziorski, T. Korona, and K. Szalewicz “Density Eﬀects in Antiprotonic Helium”, in Quantum electrodynamics and physics of the vacuum: QED 2000, edited by G. Cantatore, AIP Conf. Proc. Ser., AIP, New York 2001, Vol. 564, pp. 51–57.

119. G. Murdachaew, A. Misquitta, R. Bukowski, and K. Szalewicz “Intermolecular Potential Energy Surfaces and Spectra of Ne–HCN Complex from ab initio Calculations”, J. Chem. Phys. 114, 764–779 (2001).

120. P. Jankowski, S.N. Tsang, W. Klemperer, and K. Szalewicz “Spectra of N2–HF from Symmetry- Adapted Perturbation Theory Potential”, J. Chem. Phys. 114, 8948–8963 (2001).

121. R. Bukowski and K. Szalewicz “Complete ab initio Three-Body Nonadditive Potential in Monte Carlo Simulations of Vapor-Liquid Equilibria and Pure Phases of Argon”, J. Chem. Phys. 114, 9518–9531 (2001).

122. G. Murdachaew and K. Szalewicz “Intermolecular Potentials with Flexible Monomers”, Faraday Discuss. 118, 121–142 (2001).

123. M. J. Smit, G. C. Groenenboom, P. E. S. Wormer, A. van der Avoird, R. Bukowski, and K. Szalewicz “Vibrations, Tunneling, and Transition Dipole Moments in the Water Dimer”, J. Phys. Chem. A 105, 6212–6225 (2001).

124. K. Patkowski, B. Jeziorski, and K. Szalewicz “Symmetry-Adapted Perturbation Theory with Regularized Coulomb Potential”, J. Mol. Str. (Theochem) 547, 293–307 (2001).

125. W. Cencek, K. Szalewicz, and B. Jeziorski “Breit-Pauli and Direct Perturbation Theory Calcu- lations of Relativistic Helium Polarizability”, Phys. Rev. Lett. 86, 5675–5678 (2001).

126. K. Szalewicz “Hydrogen Bond”, in Encyclopedia of Physical Science and Technology, edited by R.A. Meyers et al., Academic Press, San Diego, CA, 2002, Third Edition, Vol. 7, pp. 505–538.

127. G. Murdachaew, K. Szalewicz, and R. Bukowski “Eﬃcient Generation of Flexible-Monomer Intermolecular Potential Energy Surfaces”, Phys. Rev. Lett. 88, eid. 123202:1–4 (2002).

128. A. K. Sum, S. I. Sandler, R. Bukowski, and K. Szalewicz “Prediction of the Phase Behavior of Acetonitrile and Methanol with ab initio Pair Potentials. I. Pure Components”, J. Chem. Phys. 116, 7627–7636 (2002). 129. A. K. Sum, S. I. Sandler, R. Bukowski, and K. Szalewicz “Prediction of the Phase Behavior of Acetonitrile and Methanol with ab initio Pair Potentials. II. The Mixture”, J. Chem. Phys. 116, 7637–7644 (2002).

130. A.J. Misquitta and K. Szalewicz “Intermolecular Forces From Asymptotically Corrected Density Functional Description of Monomers”, Chem. Phys. Lett. 357, 301–306 (2002).

131. K. Patkowski, T. Korona, R. Moszynski, B. Jeziorski, and K. Szalewicz “Ab initio potential energy surface and second virial coeﬃcient for He–H2O complex”, J. Mol. Str. (Theochem), 591, 231–243 (2002).

132. K. Patkowski, B. Jeziorski, T. Korona, and K. Szalewicz “Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies”, J. Chem. Phys. 117, 5124–5134 (2002).

133. B. Jeziorski and K. Szalewicz “Symmetry-Adapted Perturbation Theory”, in Handbook of Molec- ular Physics and Quantum Chemistry, edited by S. Wilson, Wiley, 2003, Vol. 3, Part 2, Chap. 9, p. 232–279.

8 134. E.M. Mas, R. Bukowski, and K. Szalewicz “Ab initio three-body interactions for water. I. Potential and structure of water trimer”, J. Chem. Phys. 118, 4386–4403 (2003).

135. E.M. Mas, R. Bukowski, and K. Szalewicz “Ab initio three-body interactions for water. II. Eﬀects on structure and energetic of liquid”, J. Chem. Phys. 118, 4404–4413 (2003).

136. M. Jeziorska, R. Bukowski, W. Cencek, M. Jaszunski, B. Jeziorski, and K. Szalewicz “On the performance of bond functions and basis set extrapolation techniques in high-accuracy calculations of interatomic potentials. A helium dimer study”, Coll. Czech. Chem. Com. 68, 463–488 (2003).

137. K. Szalewicz, R. Bukowski, and B. Jeziorski “Nature of many-body forces in water clusters and bulk”, in Water in Conﬁning Geometries, edited by V. Buch and J.P. Devlin, Springer-Verlag, Berlin, 2003, pp. 7–23.

138. R. Bukowski, B. Jeziorski, and K. Szalewicz “Gaussian geminals in coupled cluster and many- body perturbation theories”, in Explicitly Correlated Functions in Chemistry and Physics, edited by J. Rychlewski, Kluwer, Dordrecht, The Netherlands, 2003, pp. 185–248.

139. A.J. Misquitta, B. Jeziorski, and K. Szalewicz “Dispersion energy from density-functional theory description of monomers”, Phys. Rev. Lett. 91, 033201:1–4 (2003).

140. K. Szalewicz “Intermolecular Interaction Potentials”, in High Accuracy Potentials for Quantum Dynamics, edited by A. Miani, J. Tennyson, and T. van Mourik, Collaborative Computational Project on Molecular Quantum Dynamics, Daresburry, UK, 2003, pp. 66–76.

141. O. Akin-Ojo, R. Bukowski, and K. Szalewicz “Ab Initio Studies of He—HCCCN Interaction”, J. Chem. Phys. 119, 8379–8396 (2003).

142. B.T. Chang, O. Akin-Ojo, R. Bukowski, and K. Szalewicz “Potential Energy Surface and Rovi- brational Spectrum of He–N2O Dimer”, J. Chem. Phys. 119, 11654–11670 (2003).

143. W. Cencek, M. Jeziorska, R. Bukowski, M. Jaszunski, B. Jeziorski, and K. Szalewicz “Helium Dimer Interaction Energies from Gaussian Geminal and Orbital Calculations”, J. Phys. Chem. A 108, 3211–3224 (2004); invited paper to Henry F. Schaefer III Festschrift issue.

144. B.D. Obreshkov, D.D. Bakalov, B. Lepetit, and K. Szalewicz “Collisional quenching of antiprotonic helium atoms in gaseous helium”, Phys. Rev. A 69, 042701:1–6 (2004).

145. K. Patkowski, B. Jeziorski, and K. Szalewicz “Uniﬁed treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion”, J. Chem. Phys. 120, 6849–6862 (2004). 146. G.Lach, B. Jeziorski, and K. Szalewicz “Radiative corrections to the polarizability of helium”, Phys. Rev. Lett. 92, 233001:1–4 (2004).

147. K. Szalewicz, R. Podeszwa, A.J. Misquitta, and B. Jeziorski “Density-functional-based methods for calculations of intermolecular forces” in Lecture Series on Computer and Computational Science, Vol. 1, ICCMSE 2004, edited by T. Simos and G. Maroulis, VSP, Utrecht, 2004, pp. 1033–1036.

148. G. Murdachaew, K. Szalewicz, H. Jiang, and Z. Bacic “Intermolecular potential energy surface and spectra of He–HCl with generalization to other rare gas–hydrogen halide complexes”, J. Chem. Phys. 121, 11839–11855 (2004).

149. K. Patkowski, G. Murdachaew, C.-M. Fou, and K. Szalewicz “Accurate ab initio potential for argon dimer including highly repulsive region”, Mol. Phys. 103, 2031–2045 (2005); invited paper to Rodney J. Bartlett Festschrift issue.

9 150. K. Szalewicz, R. Bukowski, and B. Jeziorski “On the importance of many-body forces in clusters and condensed phase”, in Theory and Applications of Computational Chemistry: The First 40 Years. A Volume of Technical and Historical Perspectives, edited by C. E. Dykstra, G. Frenking, K. S. Kim, and G. E. Scuseria, Elsevier, Amsterdam, 2005, Chap. 33, pp. 919–962.

151. A. J. Misquitta and K. Szalewicz “Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Forces Employing Density Functional Description of Monomers” J. Chem. Phys. 122, 214109:1–19 (2005).

152. K. Szalewicz, K. Patkowski, and B. Jeziorski “Intermolecular interactions via perturbation theory: from diatoms to biomolecules”, in Intermolecular Forces and Clusters, edited by D.J. Wales, Structure and Bonding 116, 43–117 (2005); invited paper to Anthony Stone’s Festschrift issue.

153. A. J. Misquitta, R. Podeszwa, B. Jeziorski, and K. Szalewicz “Intermolecular potentials based on symmetry-adapted perturbation theory including dispersion energies from time-dependent density functional calculations”, J. Chem. Phys. 123, 214103:1–14 (2005).

154. R. Podeszwa and K. Szalewicz “Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on Kohn-Sham model”, Chem. Phys. Lett. 412, 488–493 (2005).

155. W. Cencek, J. Komasa, K. Pachucki, and K. Szalewicz “Relativistic corrections to the helium dimer interaction energy”, Phys. Rev. Lett. 95, 233004:1–4 (2005).

156. P. Jankowski and K. Szalewicz “A new ab initio interaction energy surface and high-resolution spectra of the H2-CO van der Waals complex”, J. Chem. Phys. 123, 104301:1–16 (2005).

157. O. Akin-Ojo and K. Szalewicz “Potential energy surface for water-methane”, J. Chem. Phys. 123, 134311:1–19 (2005).

158. R. Bukowski, R. Podeszwa, and K. Szalewicz “Eﬃcient calculations of coupled Kohn-Sham dynamic susceptibility functions and dispersion energies with density ﬁtting”, Chem. Phys. Lett. 414, 111–116 (2005).

159. H. Jiang, A. Sarsa, G. Murdachaew, K. Szalewicz, and Z. Bacic “(HCl)2 and (HF)2 in small helium clusters: Quantum solvation of hydrogen-bonded dimers”, J. Chem. Phys. 123, 224313:1– 13 (2005).

160. M. Wernli, P. Valiron, A. Faure, L. Wiesenfeld, P. Jankowski, and K. Szalewicz “Improved low- temperature rate constants for rotational excitation of CO by H2”, Astronomy & Astrophysics 446, 367–372 (2006).

161. R. Podeszwa, R. Bukowski, and K. Szalewicz “Density ﬁtting method in symmetry-adapted perturbation theory based on Kohn-Sham description of monomers”, J. Chem. Theo. Comp. 2, 400–412 (2006).

162. R. Bukowski, W. Cencek, K. Patkowski, P. Jankowski, M. Jeziorska, M. Kolaski, and K. Sza- lewicz “Portable parallel implementation of symmetry-adapted perturbation theory code”, Mol. Phys. 104, 2241–2262 (2006).

163. X. Li, A. Volkov, K. Szalewicz, and P. Coppens “Interactions between glycopeptide antibiotics and substrates in complexes determined by X-ray crystalography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials”, Acta Cryst. D 62, 639–647 (2006). 164. O. Akin-Ojo, A.H. Harvey, and K. Szalewicz “Methane-water cross second virial coeﬃcient with quantum corrections from an ab initio potential energy surface”, J. Chem. Phys. 125, 014314:1–5 (2006).

10 165. R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird “Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers”, J. Chem. Phys. 125, 044301:1–8 (2006).

166. R. Podeszwa, R. Bukowski, and K. Szalewicz “Potential energy surface for the benzene dimer and perturbational analysis of π − π interactions”, J. Phys. Chem. A 110, 10345–10354 (2006).

167. K. Szalewicz, G. Murdachaew, R. Bukowski, O. Akin-Ojo, and C. Leforestier “Spectra of water dimer from ab initio calculations”, in Lecture Series on Computer and Computational Sciences, ICCMSE 2006, edited by G. Maroulis and T. Simos, Brill Academic Publishers, Leiden: 6, 482–491 (2006).

168. K. Patkowski, B. Jeziorski, and K. Szalewicz “Third-order interactions in symmetry-adapted perturbation theory”, J. Chem. Phys. 125, 154107:1–20 (2006).

169. R. Podeszwa, R. Bukowski, and K. Szalewicz “Density-ﬁtting method in symmetry-adapted perturbation theory based on Kohn-Sham description of monomers”, Proceedings of the HPCMP User Group Conference 2006, IEEE Computer Society, Los Alamitos, CA, 2006, pp. 189–192.

170. R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird “Predictions of the Properties of Water from First Principles”, Science 315, 1249–1252 (2007).

171. R. Podeszwa and K. Szalewicz “Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers”, J. Chem. Phys. 126, 194101:1–14 (2007).

172. K. Patkowski, W. Cencek, M. Jeziorska, B. Jeziorski, and K. Szalewicz “Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations”, J. Phys. Chem. A 111, 7611–7623 (2007).

173. W. Cencek, M. Jeziorska, O. Akin-Ojo, and K. Szalewicz “Three-body contribution to the helium interaction potential”, J. Phys. Chem. A 111, 11311–11319 (2007).

174. F. Rob, R. Podeszwa, and K. Szalewicz “Electrostatic interaction energies with overlap eﬀects from a localized approach”, Chem. Phys. Lett. 445, 315–320 (2007).

175. M. Jeziorska, W. Cencek, K. Patkowski, B. Jeziorski, and K. Szalewicz “Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data”, J. Chem. Phys. 127, 124303:1–13 (2007).

176. R. Podeszwa, R. Bukowski, B. M. Rice, and K. Szalewicz “Predictions of crystal structures from ﬁrst principles”, Proceedings of the HPCMP User Group Conference 2007, IEEE Computer Society, Los Alamitos, CA, 2007, pp. 216–221.

177. R. Podeszwa, R. Bukowski, B. M. Rice, and K. Szalewicz “Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory”, Phys. Chem. Chem. Phys. 9, 5561–5569 (2007). 178. K. Patkowski and K. Szalewicz “Frozen core and eﬀective core potentials in symmetry-adapted perturbation theory”, J. Chem. Phys. 127, 164103:1–17 (2007).

179. K. Patkowski, R. Podeszwa, and K. Szalewicz “Interactions in diatomic dimers involving closed- shell metals”, J. Phys. Chem. A 111, 12822–12838 (2007).

180. R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird “Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface”, J. Chem. Phys. 128, 094313:1–15 (2008).

181. R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird “Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coeﬃcients, and simulations of liquid water”, J. Chem. Phys. 128, 094314:1–20 (2008).

11 182. A. van der Avoird and K. Szalewicz “Water trimer torsional spectrum from accurate ab initio and semi-empirical potentials”, J. Chem. Phys. 128, 014302:1–8 (2008).

183. K. Szalewicz “Interplay between theory and experiment in investigations of molecules embedded in superﬂuid helium nanodroplets”, Int. Rev. Phys. Chem. 27, 273–316 (2008).

184. R. Podeszwa and K. Szalewicz “Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons”, Phys. Chem. Chem. Phys. 10, 2735–2746 (2008).

185. P. Jankowski and K. Szalewicz “Eﬀects of monomer ﬂexibility on spectra of N2–HF”, Chem. Phys. Lett. 459, 60–64 (2008).

186. M. Jeziorska, W. Cencek, K. Patkowski, B. Jeziorski, and K. Szalewicz “Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: a helium dimer study”, Int. J. Quantum Chem. 108, 2053–2075 (2008).

187. W. Cencek and K. Szalewicz “Ultra-high accuracy calculations for hydrogen molecule and helium dimer”, Int. J. Quantum Chem. 108, 2191-2198 (2008).

188. W. Cencek, K. Szalewicz, C. Leforestier, R. van Harrevelt, and A. van der Avoird “An accurate analytic representation of the water pair potential”, Phys. Chem. Chem. Phys. 10, 4716–4731 (2008).

189. P. Zuchowski, R. Podeszwa, R. Moszynski, B. Jeziorski, and K. Szalewicz “Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes”, J. Chem. Phys. 129, 084101:1–17 (2008).

190. R. Podeszwa, B. M. Rice, and K. Szalewicz “Predicting structure of molecular crystals from ﬁrst principles”, Phys. Rev. Lett. 101, 115503:1–4 (2008).

191. K. Patkowski, W. Cencek, P. Jankowski, K. Szalewicz, J. B. Mehl, G. Garberoglio, and A. H. Harvey “Potential energy surface for interactions between two hydrogen molecules”, J. Chem. Phys. 129, 094304:1–19 (2008).

192. R. Podeszwa, B. M. Rice, F. Rob, and K. Szalewicz “Crystal structures from nonempirical force ﬁelds”, Proceedings of the HPCMP User Group Conference 2008, IEEE Computer Society, Los Alamitos, CA, 2008, pp. 187–190.

193. K. Pernal and K. Szalewicz “Third-order dispersion energy from response functions”, J. Chem. Phys. 130, 034103:1–5 (2009).

194. M. Przybytek, B. Jeziorski, and K. Szalewicz “Inﬁnite-Order Functional for Nonlinear Param- eters Optimization in Explicitly Correlated Coupled Cluster Theory”, Int. J. Quantum Chem. 109, 2872–2884 (2009).

195. R. Podeszwa, B. M. Rice, and K. Szalewicz “Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from ﬁrst principles”, Phys. Chem. Chem. Phys. 11, 5512–5518 (2009).

196. W. Cencek, K. Patkowski, and K. Szalewicz “Full-conﬁguration-interaction calculation of three- body nonadditive contribution to helium interaction potential”, J. Chem. Phys. 131, 064105:1–8 (2009).

197. K. Pernal, R. Podeszwa, K. Patkowski, and K. Szalewicz “Dispersionless density functional theory”, Phys. Rev. Lett. 103, 263201 (2009).

198. K. Szalewicz, C. Leforestier, and A. van der Avoird “Towards complete understanding of water by ﬁrst-principle computational approach”, Chem. Phys. Lett. 482, 1–14 (2009).

199. K. Patkowski, V. Spirko, and K. Szalewicz “On the Elusive Twelfth Vibrational State of Beryl- lium Dimer”, Science 326, 1382-1384 (2009).

12 200. K. Szalewicz “Superfluid helium nanodroplets: 2006 Benjamin Franklin Medal in Physics pre- sented to Giacinto Scoles and J. Peter Toennies”, J. Franklin Inst.–Eng. App. Math. 347, 698–707 (2010). 201. R. Podeszwa, B. M. Rice, D. Taylor, F. Rob, and K. Szalewicz “Predictions of properties of energetic materials from first principles”, Proceedings of the 2009 DoD HPCMP User Group Conference, IEEE Computer Society, Los Alamitos, CA, 2009, pp. 225–229. 202. R. Podeszwa, K. Pernal, K. Patkowski, and K. Szalewicz “Extension of the Hartree-Fock plus dispersion method by First-Order Correlation Effects”, J. Phys. Chem. Lett. 1, 550-555 (2010). 203. R. Podeszwa, K. Patkowski, and K. Szalewicz “Improved interaction energy benchmarks for dimers of biological relevance”, Phys. Chem. Chem. Phys. 12, 5974–5979 (2010). 204. M. Przybytek, W. Cencek, J. Komasa, G.Lach, B. Jeziorski, and K. Szalewicz “Relativistic and quantum electrodynamics effects in helium pair potential”, Phys. Rev. Lett. 104, 183003:1–4 (2010). 205. K. Patkowski, K. Szalewicz, and B. Jeziorski “Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory”, Theor. Chem. Acc. 127, 211–221 (2010). 206. A. van der Avoird, R. Podeszwa, K. Szalewicz, C. Leforestier, R. van Harrevelt, P. R. Bunker, M. Schnell, G. von Helden, and G. Meijer “Vibration-rotation-tunneling states of the benzene dimer: an ab initio study”, Phys. Chem. Chem. Phys. 12, 8219–8240 (2010). 207. K. Patkowski and K. Szalewicz “Argon pair potential at basis and excitation limits”, J. Chem. Phys. 133, 094304:1–20 (2010). 208. K. Szalewicz and B. Jeziorski “Explicitly-correlated Gaussian geminals in electronic structure calculations”, Mol. Phys. 108, 3091–3103 (2010). 209. W. Cencek, F. Rob, K. Szalewicz, R. Podeszwa, B. M. Rice, and D. Taylor “Dispersion interactions in calculations of properties of energetic materials”, Proceedings of the 2010 DoD HPCMP User Group Conference, IEEE Computer Society, Los Alamitos, CA, 2011, pp. 208–212. 210. W. Cencek, J. Komasa, and K. Szalewicz “Collision-induced dipole polarizability of helium dimer from explicitly correlated calculations”, J. Chem. Phys. 135, 014301:1–7 (2011). 211. A. Faure, K. Szalewicz, and L. Wiesenfeld “Potential energy surface and rotational cross sections for methyl formate colliding with helium”, J. Chem. Phys. 135, 024301:1–10 (2011). 212. D. Taylor, B. M. Rice, R. Podeszwa, F. Rob, and K. Szalewicz “A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) using a symmetry adapted perturbation theory-based intermolecular force field”, Phys. Chem. Chem. Phys. 13, 16629–16636 (2011). 213. U. Gora, W. Cencek, R. Podeszwa, and K. Szalewicz “Interaction energies of large clusters from many-body expansion”, J. Chem. Phys. 135, 224102:1–19 (2011). 214. W. Cencek, F. Rob, K. Szalewicz, R. Podeszwa, B. M. Rice, and D. Taylor “Energetic materials: from potential energy surfaces to crystal structures”, Proceedings of the 2011 DoD HPCMP User Group Conference, IEEE Computer Society, Los Alamitos, CA, 2011, pp. 240–248. 215. K. Szalewicz “Symmetry-adapted perturbation theory of intermolecular forces”, Wiley Interdisc. Rev.: Comp. Mol. Sci. 2, 254–272 (2102). 216. R. Podeszwa and K. Szalewicz “Density functional theory overcomes the failure of predicting intermolecular interaction energies”, J. Chem. Phys. Comm. 136, 161102 (2012). 217. M. Przybytek, B. Jeziorski, W. Cencek, J. Komasa, J. B. Mehl, and K. Szalewicz “Onset of Casimir-Polder retardation in a long-range molecular quantum state”, Phys. Rev. Lett. 108, 183201 (2012).

13 218. R. Podeszwa, W. Cencek, and K. Szalewicz “Eﬃcient calculations of dispersion energies for nanoscale systems from coupled density response functions”, J. Comp. Theo. Chem. 8, 1963- 1969 (2012).

219. P. Jankowski, A. R. W. McKellar, and K. Szalewicz “Theory untangles high-resolution infrared spectrum of the orthoH2-CO van der Waals complex”, Science 336, 1147–1150 (2012).

220. W. Cencek, M. Przybytek, J. Komasa, J. B. Mehl, B. Jeziorski, and K. Szalewicz “Eﬀects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium”, J. Chem. Phys. 136, 224303:1–32 (2012).

221. C. Leforestier, K. Szalewicz, and A. van der Avoird “Spectra of water dimer from a new ab initio potential with ﬂexible monomers”, J. Chem. Phys. 137, 014305 (2012).

222. G. Garberoglio, P. Jankowski, K. Szalewicz, and A. H. Harvey “Second Virial Coeﬃcients of H2 and its Isotopologues from a Six-Dimensional Potential”, J. Chem. Phys., in press.

223. J. Mitroy, S. Bubin, K. Varga, W. Horiuchi, Y. Suzuki, L. Adamowicz, W. Cencek, K. Szalewicz, J. Komasa, and D. Blume “Theory and application of explicitly correlated Gaussians”, Revs. Mod. Phys., submitted.

224. V. Spirko, S. P. A. Sauer, and K. Szalewicz “On the relation between properties of long-range diatomic bound states”, Phys. Rev. Lett., submitted.