Preface ; 1. Overview: Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces ; 2. Simultaneous Account of Dynamic and Nondynamic Correlations Based on Complementarity of CI and CC Approaches ; 3. Method of Moments of Coupled-Cluster Equations: A New Theoretical Framework for Designing "Black-Box" Approaches for Molecular Potential Energy Surfaces ; 4. The Photoelectron Spectrum of the NO3 Radical Revisited: A Theoretical Investigation of Potential Energy Surfaces and Conical Intersections ; 5. Coupled Cluster Methods for Bond-Breaking ; 6. State-Specific Multireference Coupled Cluster-Based Methods for Potential Energy Surfaces and Their Approximate Variants ; 7. The Excited and Ion States of Allene ; 8. Hamiltonian Matrix Elements for the Table-CI Method Using Genealogical Configuration State Functions ; 9. Jacob's Ladder for Time-Dependent Density-Functional Theory: Some Rungs on the Way to Photochemical Heaven ; 10. Spectral Theory of Chemical Bonding ; 11. Comparison of CaF, ZnF, CaO, and ZnO: Their Anions and Cations in Their Ground and Low-Lying Excited States ; 12. The X1(2(3/2) and X2(2(1/2) Potentials of the Halogen Monoxides: A Comparison of RKR and Ab Initio Results ; 13. Symmetry in Spin-Orbit Coupling ; 14. Non-Adiabatic Bending Dissociation of OCS Induced by Orbital Unlocking ; 15. Electronic Structure and Dynamics in the O4 System ; 16. Model Studies of Intersystem Crossing Effects in the O + H2 Reaction ; 17. The Challenge of High-Resolution Dynamics: Rotationally Mediated Unimolecular Dissociation of HOCl ; 18. The Electronic Adiabatic-to-Diabatic Transformation Matrix and the Irreducible Representation of the Rotation Group ; 19. Spectroscopic Determination of Potential Energy Surfaces for the Out-of-Plane Ring Vibrations of Indan and Related Molecules in Their S0 and S1 ((, (*) States ; 20. Semiclassical Time Evolution in the Forward-Backward Stationary-Phase Limit ; 21. Development and Application of an Ab Initio Methane-Water Potential for the Study of Phase Equilibria of Methane Hydrates ; Indexes ; Author Index ; Subject Index
