Density-functional Theory of Atoms and Molecules, Parr, Robert G.;Yang Weitao

Автор: Wolfram Koch
Название: A Chemist`s Guide to Density Functional Theory, 2nd Edition
ISBN: 3527303723 ISBN-13(EAN): 9783527303724
Издательство: Wiley
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Цена: 86590.00 T
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Описание: Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.

Автор: Bader, Richard F.W. (Professor of Chemistry, McMas
Название: Atoms in Molecules: A Quantum Theory
ISBN: 0198558651 ISBN-13(EAN): 9780198558651
Издательство: Oxford Academ
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Цена: 77090.00 T
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Описание: The purpose of this monograph is to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics.

Автор: Demtr?der
Название: Atoms, Molecules and Photons
ISBN: 3642102972 ISBN-13(EAN): 9783642102974
Издательство: Springer
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Описание: This introduction to atomic and molecular physics explains how the present model of atoms and molecules has been developed by experimental discoveries and the introduction of quantum physics to the adequate description of micro-particles.