Methods in Computational Molecular Physics

From Book News, Inc.
This Advanced Study Institute sought to bridge the gap between molecular electronic structure theory and the sophisticated computational algorithms required for practical application. Paper topics include: calculation of geometrical derivatives in molecular electronic structure theory; the many-body perturbation theory for vibrational-electronic molecular hamiltonian; and quantum mechanical scattering theory for chemical reactions. Participants were physicists, chemists, programmers, and astrophysicists. Annotation copyright Book News, Inc. Portland, Or.


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