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Correlation and Localization (Topics in Current Chemistry) by Péter R Surján; R. J Bartlett; F Bogár; D. L Cooper; B Kirtman; W Klopper; W Kutzelnigg; N. H March; P. G Mezey; H Müller; J Noga; J Paldus; J Pipek; M Raimondi; I Røeggen; J. Q Sun; P. R Surján; C Valdemoro; S Vogtner is a nonfiction available to read on EtoBox.

What is Correlation and Localization (Topics in Current Chemistry) about?

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.

Who reads Correlation and Localization (Topics in Current Chemistry)?

Author

Péter R Surján; R. J Bartlett; F Bogár; D. L Cooper; B Kirtman; W Klopper; W Kutzelnigg; N. H March; P. G Mezey; H Müller; J Noga; J Paldus; J Pipek; M Raimondi; I Røeggen; J. Q Sun; P. R Surján; C Valdemoro; S Vogtner

Publisher

Springer Spektrum. in Springer-Verlag GmbH

Published

1999

Language

EN

ISBN

9783662156254

Category

nonfiction

Subjects

Science, Chemistry, Medical