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Correlation and Localization

Name: Correlation and Localization
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 01566927
Price: 79133 HUF
Availability: InStock
Author: Peter R. Surjan
ISBN: 9783540657545

With Contributions by numerous experts

Peter R. Surjan

Language

English

Book Hardback

Libristo code: 01566927

Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, June 1999

This volume contains review and research articles in a field of quantum chemicalmethodology: the the... Full description

Libristo code: 01566927

541 b

79 133 Ft

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This volume contains review and research articles in a field of quantum chemicalmethodology: the theory of electron correlation and the localization problem. Correlation energy (i.e., the energy beyond the Hartree-Fock) plays an important role in the theoretical description of several chemical processes (reactions, excitations, ionization) while localization in quantum chemistry usually emerges as a mathematical transformation of the wave function. The connection between these two issues is provided by the need to evaluate correlation energy for larger molecules, which is much easier in terms of localized contributions. The articles selected discuss copuled cluster, perturbational and geminal-based schemes, and cover wave function as well as density based approaches.