Kniha Correlation and Localization Peter R. Surjan

Correlation and Localization

Jazyk: Angličtina
Väzba: Brožovaná
Dostupnosť: Skladom u dodávateľa v malom množstve
Odosielame za 13-18 dní
210.13
This volume contains review and research articles in a field of quantum chemical methodology: the th...

Informácie o knihe

Jazyk
Angličtina
Väzba
Kniha - Brožovaná
Vydalo
2013
Stránok
236
EAN
9783662156254
ISBN
3662156253
Enbook ID
02183035
Hmotnosť
385
Rozmery
155 x 235 x 14

Kompletný 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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