New-Generation Density Functional

Name: New-Generation Density Functional
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 9783642404207
Price: 1147 CZK
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Towards Chemical Accuracy for Chemistry of Main Group Elements

Autor: Igor Ying Zhang, Xin Xu

Jazyk:

Vazba: Brožovaná

Vydavatel: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Dostupnost: Skladem u dodavatele

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A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements...

Informace o knize

Autor

Igor Ying Zhang, Xin Xu

Jazyk

Angličtina

Vazba

Kniha - Brožovaná

Vydáno

2013

Stránek

110

EAN

9783642404207

ISBN

3642404200

Enbook ID

02007047

Vydavatel

Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Hmotnost

1942

Rozměry

155 x 235 x 7

Kompletní popis

A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accuracy for predictions of critical properties by including the role of the virtual (unoccupied) orbitals. The authors not only discuss the theoretical bases of three classes of DHDFs but also demonstrate their performance using some well-established benchmarking data sets.§

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New-Generation Density Functional

Towards Chemical Accuracy for Chemistry of Main Group Elements

Informace o knize

Kompletní popis

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Zákaznicí kteří koupili tuto knihu koupili také