|
Preface
1.: Mark R. Hoffmann and Kenneth G. Dyall: Overview: Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces
Coupled Cluster Approaches:
2.: Xiangzhu Li and Josef Paldus: Simultaneous Account of Dynamic and Nondynamic Correlations Based on Complementarity of CI and CC Approaches
3.: Piotr Piecuch, Karol Kowalski, Ian S. O. Pimienta, and Stanislaw A. Kucharski: Method of Moments of Coupled-Cluster Equations: A New Theoretical Framework for Designing "Black-Box" Approaches for Molecular Potential Energy Surfaces
4.: Mark Wladyslawski and Marcel Nooijen: The Photoelectron Spectrum of the NO3 Radical Revisited: A Theoretical Investigation of Potential Energy Surfaces and Conical Intersections
5.: Martin Head-Gordon, Troy Van Voorhis, Steven R. Gwaltney, and Edward F. C. Byrd: Coupled Cluster Methods for Bond-Breaking
6.: Sudip Chattopadhyay, Uttam Sinha Mahapatra, Pradipta Ghosh, and Debashis Mukherjee: State-Specific Multireference Coupled Cluster-Based Methods for Potential Energy Surfaces and Their Approximate Variants
Other Electronic Structure Methods:
7.: Rajat K. Chaudhuri, Karl F. Freed, and Davin M. Potts: The Excited and Ion States of Allene
8.: Yuriy G. Khait and Mark R. Hoffmann: Hamiltonian Matrix Elements for the Table-CI Method Using Genealogical Configuration State Functions
9.: Mark E. Casida: Jacob's Ladder for Time-Dependent Density-Functional Theory: Some Rungs on the Way to Photochemical Heaven
10.: P. W. Langhoff, J.A. Boatz, R. J. Hinde, and J.A. Sheehy: Spectral Theory of Chemical Bonding
11.: J. F. Harrison, R. W. Field, and C. C. Jarrold: Comparison of CaF, ZnF, CaO, and ZnO: Their Anions and Cations in Their Ground and Low-Lying Excited States
12.: Charles E. Miller: The X1(2(3/2) and X2(2(1/2) Potentials of the Halogen Monoxides: A Comparison of RKR and Ab Initio Results
13.: Dmitri G. Fedorov and Mark S. Gordon: Symmetry in Spin-Orbit Coupling
Chemical Dynamics:
14.: Toshinori Suzuki and Shinkoh Nanbu: Non-Adiabatic Bending Dissociation of OCS Induced by Orbital Unlocking
15.: Ramn Hernndez Lamoneda: Electronic Structure and Dynamics in the O4 System
16.: Mark R. Hoffmann and George C. Schatz: Model Studies of Intersystem Crossing Effects in the O + H2 Reaction
17.: Joel M. Bowman, Sergei Skokov, Shengli Zou, and Kirk Peterson: The Challenge of High-Resolution Dynamics: Rotationally Mediated Unimolecular Dissociation of HOCl
18.: Michael Baer: The Electronic Adiabatic-to-Diabatic Transformation Matrix and the Irreducible Representation of the Rotation Group
Larger Systems:
19.: J. Laane, Z. Arp, S. Sakurai, K. Morris, N. Meinander, T. Klots, E. Bondoc, K. Haller, and J. Choo: 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.: Nancy Makri and Jiushu Shao: Semiclassical Time Evolution in the Forward-Backward Stationary-Phase Limit
21.: Zhitao Cao, Brian J. Anderson, Jefferson W. Tester, and Bernhardt L. Trout: Development and Application of an Ab Initio Methane-Water Potential for the Study of Phase Equilibria of Methane Hydrates
Indexes
Author Index
Subject Index
|