Low-Lying Potential Energy Surfaces Cover

Low-Lying Potential Energy Surfaces

ISBN/ASIN: 9780841237926,9780841219298,0841237921 | 2002 | English | pdf | 473/473 pages | 48.2 Mb
Publisher: American Chemical Society | Author: Mark R. Hoffmann and Kenneth G. Dyall (Eds.)

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.].

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