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Correlation and Localization

Jezik EngleskiEngleski
Knjiga Meki uvez
Knjiga Correlation and Localization Peter R. Surjan
Libristo kod: 02183035
Nakladnici Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, ožujak 2013
This volume contains review and research articles in a field of quantum chemical methodology: the th... Cijeli opis
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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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Informacije o knjizi

Puni naziv Correlation and Localization
Autor Peter R. Surjan
Jezik Engleski
Uvez Knjiga - Meki uvez
Datum izdanja 2013
Broj stranica 236
EAN 9783662156254
ISBN 3662156253
Libristo kod 02183035
Nakladnici Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Težina 385
Dimenzije 155 x 235 x 14

Kategorija

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