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Ab-Initio Potential Hypersurfaces, 54 Acetylenic CH, 61 Acoustic Phonon

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Ab-Initio Potential Hypersurfaces, 54 Acetylenic CH, 61 Acoustic Phonon INDEX Ab-initio potential hypersurfaces, 54 Acetylenic CH, 61 Acoustic phonon, 463 Activation barrier, 172 Active control, 535 Adiabatic approximation, 469 Adiabatic channel potential curves, 243, 256 Adiabatic channel threshold energies, 249 Adiabatic switching, 181, 182 Adiabatic transitions, 257 Aerodynamic Mach number, 436 Alkali halide clusters, 5 Alkyl radicals, 47 Aminotetrazine Ar2 , 87,88 Angular momentum, 181 Anharmonic clusters, 176 Anharmonic interactions, 19 Anharmonic oscillators, 543 Aniline, 429 Anthracene, 416 Argon cluster, 4, 165 Aromatic molecules, 18 Arrhenius formula, 156 Auger process, 374, 553 Auger relaxation, 390 Autocorrelation function, 10 Axilrod-Teller interactions, 5 Axilrod-Teller potential, 2 Aziridine, 269 Bacteriochlorophyll dimer, 559 Bacteriochlorophyll g, 467 Bacteriopheophytin g, 467 Bacteriopheophytons, 559 Benzaldehyde, 364 Benzene, 416 Benzene-biacetyl pair, 416, 417 Bimolecular reaction of water, 217 Birge-Sponer parameters, 29 Boltzmann distribution, 279 Boltzmann function, 279 Bond breaking, 283 Bond fission, 227, 241, 242 573 514 R. D. LEVINE AND J. JOR1NER Bond-selective Coulomb explosion, 553 Bootstrap procedure, 68 Born-Mayer potential, 2, 5 Born-Oppenheimer approximation, 49 Born-Oppenheimer hamiltonian, 336 Born-Oppenheimer potential surface, 122 Cage effect in clusters, 167, 169 Cage effect in photolysis, 206 Carter-Handy surface, 5 Centrifugal couplings, 19 CH-chromophores, 49, 58 Chaotic distribution, 79 charge separation in photosynthesis, 559 Chebychev basis, 71 Chebychev method, 350 Chemical clocks, 539, 552 Chemical shift, 372 Cis-trans isomerization 261, 269' Cis-trans tunneling rates, 269 Classical trajectory, 105 Climbing method, 4 Cluster evaporation dynamics, 165 Cluster isomerization, 189 Cluster-molecule interaction, 153 Cluster photoexcitation, 165 Coherent anti-stokes Raman scattering, 227 Collinear Coulomb explosion, 347 Collisional energy transfer, 429 Complex error function, 287 Condon approximation, 469 Conjugate gradient method, 338 Conservative systems, 9 continuum of intermediate states, 284, 292 Cooperative chemical reaction, 530 Coriolis coupling, 67, 69 Coriolis interactions, 19, 49 Correspondence principle, 404 Coupled anharmonic oscillators, 53 Coupled quantum oscillators, 47 Crystal lattice, 153 Cyclopentadiene, 200 Density of ro-vibrational states, 17 Diamond-square-diamond or DSD processes, 8 Diffusion coefficient, 10 Difluoroethane, 379 Dipole-dipole interaction, 415 Dipole transitions, 49 Discrete variable method, 4, 68 Dissociation dynamics, 97, 538 INDEX 575 Dissociative absorption, 153 Doppler broadening, 114 Double resonance techniques, 2~, 26, 28, 35 Electronegativity, 373 Electronic energy transfer, 415, 467 Embedded atom potential, 2, 4, 154 Euler-Lagrange equations, 355 Evaporation rates, 172, 174, 184 Evolution operator, 504 Excitonic-vibronic coupling model, 469 Extreme motion states, 21 Fermi's golden rule frame, 98 Fermi resonances, 17, 50, 53, 54, 67, 68 Floppy molecules, 68 Fluctuations, 57, 551 Fluorescence, 274 Formaldehyde, 5 Fourier method representation, 350 Fourier transform, 10, 54, 107, 395, 490 Fragmentation, 343, 389, 536 Franck-Condon envelope, 550 Franck-Condon factors, 561 Franck-Condon principle, 203, 339, 344, 354, 433 Franck-Condon region, 546 Gaussian approximation, 396 Gaussian fields, 521 Gaussian function, 286, 393 Gaussian pulses, 290, 490, 520 Giant optical vibration, 463 Gupta potential, 2 Hamiltonian systems, 9 Harmonic hamiltonian, 181 Heaviside function, 286 Hertz invariant method, 178, 181 Heteroclusters, 139 Heterogeneous catalysis, 153 High vibrational overtone levels, 35 Highly anharmonic quantum molecular dynamics, 60 Hilbert space, 485, 503, 522 HONO, 261 HON02 , 31 Husimi plots, 341, 344 Husimi representation, 344 Husimi transform, 340 Hydrogen-bonded clusters, 201 Infrared-optical double spectroscopy, 42 576 INDEX Impulsive iterative inversion, 347 Internal conversion, 274, 360 Internal rotor predissociation, 115 Interpolyad couplings, 58 . Interstate electronic relaxation, 544 Intersystem crossing, 49, 359, 361, 544 Intracluster collisions, 209 Intramolecular conversions, 264 Intramolecular radiationless transition, 544 Intramolecular vibrational redistribution, 17, 25, 26, 47, 127, 537 Inversion procedure, 347, 349 Isomerization, 141 IVRET, 19 Jacobi coordinates, 99, 350 K entropy, 1 (K el)5 cluster, 10 Kolmogorov entropy, 12, 485, 490 Kramers-Heisenberg formula, 283, 298 Lagrange multiplier, 336 Landau-Lifshitz method, 401, 404, 409, 412 Landau-Teller model, 405 Landau-Zener model, 411 Landau-Zener type transitions, 257 Laser excitation, 48 Laser induced fluorescence, 28, 218, 219, 360 Laser induced phosphorescence, 360, 365 Laser pulses, 283 Laser spectroscopy, 54 Lennard-Jones hamiltonian, 1·82 Lennard-Jones particles, 182 Lennard-Jones potential, 2 Liapunov spectrum, 1, 12 Lindemann's criterion, 10 Liouvile equation, 472 Liouville operators, 469 Liouville theorem, 181 London-Eyring-Polanyi-Sato function, 154 Lorentzian function, 107 Lorentzian frequency, 286 Lorentzian lines, 19, 38 Lorentzian pulse, 300 Magic number icosahedron, 8 Maxwell distribution, 276 Memory effect, 371, 373 Metal cluster-molecule, 153 Method of slowest slides, 3 577 Mode selective vibrational redistribution, 47 Molecular chaos, 55 Molecular landscapes, 1 Molecular symmetry, 60 Molecule-surface collision induced dissociation, 443 Molecule-surface scattering, 443 Momentum space, 350 Morse potential, 2, 7, 109 Multiphoton excitation, 55 Multiphoton ionisation, 429 Multiple histogram method, 176, 182 Multiple laser probes, 25 Naphtalene, 416 Near-adiabatic coupling, 401 Nitrous oxide, 376 Nonadiabatic multiphonon theory, 561 Nonlinear resonances, 262 Nonradiative dynamics, 359 Non-resonant pulses, 459, 461 Open channels, 291 Open vibrational channels, 119 optical parametric oscillator, 27 Optical vibration, 463 Optimal control theory, 333, 334 Organic amphilic surfaces, 429 Overtone excitation spectra, 37, 48, 539 Overtone excited molecules, 26 Overtone linewidths, 40 Overtone vibration, 217 Passive control, 535 Pauli equation, 47, 56 Peirce-Dahleh-Rabitz analysis, 505 p-fluorotoluene, 127 Phase space theory, 172, 549 Phonon energy, 457 Phonon hamiltonian, 463 photochemical reactions, 201 Photocontrol, 12 Photodissociation, 202, 238, 274, 283, 291, 292, 452 Photofragmentation, 97 Photoinduced reactions, 201 Photosynthetic membrane, 467 Photosynthetic reaction centers, 467 Placzek approximation, 457 Poisson distribution, 68, 78 Polyad quantum number, 58 population, 340 Potential energy surface, 154, 241 578 INDEX Predissociation spectra, 29, 32, 67 Projection operator, 499 Pseudo-partition functions, 252, 253 Pulse-molecule interaction, 284 Pyrazine, 362 Quasiclassical approximation, 402 Quasiclassical simulation, 153 Quasiresonant approximation, 53 Quasiresonant basis, 52 Quantum chaos, 69 Quantum dynamics, 79, 485 Quantum entropy, 56 Quantum interference, 323 Rabi cycles, 344 Radau stretching coordinates, 69 Radionless transition, 49 Raman phonon processes, 457 Raman scattering, 283, 527 Raman transient, 301 Random vibrational phases, 263 Randon walk model, 393, 394 Reaction paths, 1 Resonance enhanced multiphoton ionisation, 432 Resonance fluorescence, 19, 284, 301 Rhodobacter sphaeroides R-26, 468 Rhodopseudomonas viridis Re, 469 Rice-Ramsberger-Kassel-Marcus theory, 11, 280 Riemann sheets, 411 Rigidity factors, 253 Rode-spring collision model, 438 Rotational infinite order sudden approximation, 101 Rotationally resolved vibrational overtone spectra, 36 Rovibrational Hamiltonian operator, 69 Rovibrational levels, 17 Runge-Kutta-Gill routine, 263 Rydberg orbital, 372 Rydberg state, 326 Saddles, 3, 7 Scattering states, 291 Schr6dinger equation, 68, 350, 354, 486, 513 Selectivity, 405 Shake-up process, 373 Single photon excitation, 539 Single-triplet coupling, 364 Skiing method, 4 Solar energy, 467 Solvation shell, 168 Solvent atom, 201 579 statistical limit, 184 Sterm-Volmer kinetics, 415 stillinger-stillinger potential, 6 Stimulated emission pumping, 551 stimulated Raman excitation, 227 Stokes'line, 403, 404 Structural phase transition, 530 Substituted acetylene compounds, 17 Supersonic molecular beams, 26, 359 Surface Penning-ionisation, 359 Surface scattering, 430 Symmetrisation procedure, 409 Symmetry in vibrational redistribution, 58 Synchrotron radiation, 372 tert-butyl hydroperoxide, 33 Tier models, 49 Time asymmetry, 55 Time dependent entropy, 56 Time dependent Schrodinger equation, 51, 52, 334, 336 Time-dependent self consistent field, 204 Time evolution operator, 54 Time independent Gibbs-von Neumann equilibrium entropy, 57 Time of flight signal, 434 Time reversal symmetry, 55 Trajectory calculation, 261, 263 Transition-dipole operator, 284 Transitional modes, 242 Trifluoroethane, 384 Triplet states, 359 Triplet-triplet coupling, 364 Tunneling, 263, 268 Unimolecular dissociation dynamics, 38, 39, 273 Unimolecular reactions, 47 Unsaturated molecules, 273 Van der Waals adducts, 538 Van der Waals bonds, 67 Van der Waals chemistry, 67 Van der Waals complexes, 97 Van der Waals intermolecular potentials, 99 Van der Waals systems, 139 Vibrational adiabiatic or diabatic approximation, 49, 98, 100, 101 Vibrational angular momentum quantum number, 58 Vibrational eigenstates, 42 Vibrational overtone excitation, 219, 262 Vibrational predissociation, 97, 113 Vibrational relaxation, 359 580 INDEX virtual states, 286, 470 waite and Miller plus-tunneling model, 268 Wavefunction, 349 Wavepacket, 283, 293, 339 Weak coupling, 401 Zeroth-order bright state, 30 Zero-point energy, 203, 371, 372 Zhao-Rice analysis, 522 .
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