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About Low-Lying Potential Energy Surfaces
Content: Simultaneous account of dynamic and nondynamic correlations based on complementarity of CI and CC approaches / Xiangzhu Li and Josef Paldus -- Method of moments of coupled-cluster equations / Piotr Piecuch ... [et al.] -- Photoelectron spectrum of the NO₃ radical revisited / Mark Wladyslawski and Marcel Noojen -- Coupled cluster methods for bond-breaking / Martin Head-Gordon ... [et al.] -- State-specific multireference coupled cluster-based methods for potential energy surfaces and their approximate variants / Sudip Chattopadhyay ... [et al.] -- Excited and ion states of allene / Rajat K. Chaudhuri, Karl F. Freed, and Davin M. Potts -- Hamiltonian matrix elements for the table-CI method using genealogical configuration state functions / Yuriy G. Khait and Mark R. Hoffmann -- Jacob's ladder for time-dependent density-function theory / Mark E. Casida -- Spectral theory of chemical bonding / P.W. Langhoff ... [et al.] -- Comparison of CaF, ZnF, CaO, and ZnO / J.F. Harrison, R.W. Field, and C.C. Jarrold -- X₁(²[pi]₃/₂) and X₂(²[pi]₁/₂) potentials of the halogen monoxides / Charles E. Miller -- Symmetry in spin-orbit coupling / Dmitri G. Fedorov and Mark S. Gordon -- Non-adiabatic bending dissociation of OCS induced by orbital unlocking / Toshinori Suzuki and Shinkoh Nanbu -- Electronic structure and dynamics in the O₄ system / Ramón Hernández Lamoneda -- Model studies of intersystem crossing effects in the O + H₂ reaction / Mark R. Hoffmann and George C. Schatz -- Challenge of high-resolution dynamics / Joel M. Bowman ... [et al.] -- Spectroscopic determination of potential energy surfaces for the out-of-plane ring vibrations of indan and related molecules in their S₀ and S₁([pi], [pi*]) states / J. Laane ... [et al.] -- Semiclassical time evolution in the forward-backward stationary-phase limit / Nancy Makri and Jiushu Shao -- Development and application of an ab initio methand-water potential for the study of phase equilibria of methane hydrates / Zhitao Cao ... [et al.].
Detailed Information
| Author: | Mark R. Hoffmann and Kenneth G. Dyall (Eds.) |
|---|---|
| Publication Year: | 2002 |
| Pages: | 473 |
| Language: | English |
| File Size: | 48.158 |
| Format: | |
| Price: | FREE |
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