Książka Correlation and Localization Peter R. Surjan

Correlation and Localization

With Contributions by numerous experts

Język: Angielski
Oprawa: Twarda
Dostępność: Dostępna u dostawcy
Wysyłamy za 10-13 dni
844.99
This volume contains review and research articles in a field of quantum chemicalmethodology: the the...

Informacje o książce

Język
Angielski
Oprawa
Książka - Twarda
Data wydania
1999
strony
236
EAN
9783540657545
ISBN
3540657541
Enbook ID
01566927
Waga
1180
Wymiary
156 x 234 x 18

Pełny opis

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.

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