Hybrid Correlation Models for Bond Breaking Based on Active Space Partitioning
Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning A Thesis Presented to The Academic Faculty by Artem D. Bochevarov In Partial Fulfillment of the Requirements for the Degree Doctor of Philosophy School of Chemistry and Biochemistry Georgia Institute of Technology August 2006 Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning Approved by: Professor C. David Sherrill, Adviser (School of Chemistry & Biochemistry) Georgia Institute of Technology Professor Rigoberto Hernandez (School of Chemistry & Biochemistry) Georgia Institute of Technology Professor Jean-Luc Bredas´ (School of Chemistry & Biochemistry) Georgia Institute of Technology Professor Thomas Orlando (School of Chemistry & Biochemistry) Georgia Institute of Technology Professor Mei-Yin Chou (School of Physics) Georgia Institute of Technology Date Approved: June 1, 2006 ACKNOWLEDGEMENTS The time spent in the graduate school at Georgia Institute of Technology was the period of deep self-introspection and extensive learning. I was influenced, taught and helped by many people, whose names are given below in the alphabetical order. To all of them I express my sincere gratitude. Micah L. Abrams, William H. Adams, Roye Albrighton, Jon Anderson, Marc C. Baker, Tony Banks, Hugh Banton, Richard Barbieri, Samuel Beckett, Adrian Belew, Arnold Ben- nett, Lo¨ıc Bernardeau, Pascal Bertrand, Klaus Blasquiz, the Bochevarovs, Mick Brockett, Bill Bruford, Edward Bulwer-Lytton, Pietr Luigi Calderoni, Phil Collins, Joseph Conrad, Sebastian Constard, Pierre Corneille, T. Daniel Crawford, Ernie Croot, Renato D’Angelo, Michi Dei Rossi, Stanislav Derevyanko, Charles Dickens, Francesco DiGiacomo, R. M. W. Dixon, David Donson, Fyodor Dostoyevsky, Colin Edwin, Keith Emerson, Jonas En- gdegard,˚ Francesco Evangelista, Guy Evans, Henry Fielding, Fish, Allan Freeman, Guil- laume Fountaine, John Fowles, Robert Fripp, Anthony Gabard, Peter Gabriel, Benoˆıt Gaignon, Rene´ Garber, David Gilmour, George Gissing, Brian Greene, Lionel B.
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