Correlation and Localization

Name: Correlation and Localization
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 9783662156254
Price: 5079 CZK
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Autor: Peter R. Surjan

Jazyk:

Vazba: Brožovaná

Vydavatel: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Dostupnost: Skladem u dodavatele v malém množství

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This volume contains review and research articles in a field of quantum chemical methodology: the th...

Informace o knize

Autor

Peter R. Surjan

Jazyk

Angličtina

Vazba

Kniha - Brožovaná

Vydáno

2013

Stránek

236

EAN

9783662156254

ISBN

3662156253

Enbook ID

02183035

Vydavatel

Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Hmotnost

385

Rozměry

155 x 235 x 14

Kompletní popis

This volume contains review and research articles in a field of quantum chemical methodology: 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.

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Correlation and Localization

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