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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.

Szczegóły książki

Kategoria Książki po angielsku Mathematics & science Chemistry Physical chemistry

• Pełny tytuł: Correlation and Localization
• Podtytuł: With Contributions by numerous experts
• Autor: Peter R. Surjan
• Język: Angielski
• Oprawa: Twarda
• Liczba stron: 236
• EAN: 9783540657545
• ISBN: 3540657541
• ID: 01566927
• Wydawca: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
• Waga: 1180 g
• Wymiary: 234 × 156 × 18 mm
• Data wydania: 18. June 1999

Ulubione w innej kategorii

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