Low-lying potential energy surfaces /
Annotation
| Other Authors: | , |
|---|---|
| Format: | eBook |
| Language: | English |
| Language Notes: | English. |
| Published: |
Washington, DC :
American Chemical Society,
©2002.
|
| Series: | ACS symposium series ;
828. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- 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 [and others]
- Photoelectron spectrum of the NO₃ radical revisited / Mark Wladyslawski and Marcel Noojen
- Coupled cluster methods for bond-breaking / Martin Head-Gordon [and others]
- State-specific multireference coupled cluster-based methods for potential energy surfaces and their approximate variants / Sudip Chattopadhyay [and others]
- 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 [and others]
- 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 [and others]
- 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 [and others]
- 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 [and others].