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Correlation and Localization

Language EnglishEnglish
Book Hardback
Book Correlation and Localization Peter R. Surjan
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
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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.

About the book

Full name Correlation and Localization
Author Peter R. Surjan
Language English
Binding Book - Hardback
Date of issue 1999
Number of pages 236
EAN 9783540657545
ISBN 3540657541
Libristo code 01566927
Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Weight 1180
Dimensions 156 x 234 x 18

Categories

Mathematics & Science > Chemistry > Physical chemistry > Quantum & theoretical chemistry
Mathematics & Science > Chemistry > Organic chemistry
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