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Atoms and Molecules in the Ground State: Vol. 1: Atoms and Molecules in the Ground State (Localization and Delocalization in Quantum Chemistry, 1) - Softcover
This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions.
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- PublisherSpringer
- Publication date2011
- ISBN 10 9401017808
- ISBN 13 9789401017800
- BindingPaperback
- Number of pages369
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Atoms and Molecules in the Ground State: Vol. 1: Atoms and Molecules in the Ground State (Localization and Delocalization in Quantum Chemistry) (Volume 1) by Chalvet, Odilon, Daudel, Raymond, Diner, Simon, Malrieu, Jean Paul [Paperback ]
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Atoms and Molecules in the Ground State : Vol. 1: Atoms and Molecules in the Ground State
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Book Description Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions. Seller Inventory # 9789401017800
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Atoms and Molecules in the Ground State: Vol. 1: Atoms and Molecules in the Ground State (Localization and Delocalization in Quantum Chemistry, 1)
Published by
Springer
(2011)
ISBN 10: 9401017808
ISBN 13: 9789401017800
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Atoms and Molecules in the Ground State
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Book Description Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. I / Statistical Analysis of the Spatial Localizability of Molecular Electrons.- to the Loge Theory.- Discussion of Daudel Contribution.- Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions.- Summary of the Discussion of Prof. Seller Inventory # 5830096
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Atoms and Molecules in the Ground State : Vol. 1: Atoms and Molecules in the Ground State
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ISBN 10: 9401017808
ISBN 13: 9789401017800
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Atoms and Molecules in the Ground State
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Book Description Paperback. Condition: Brand New. 376 pages. 9.25x6.10x0.85 inches. In Stock. Seller Inventory # x-9401017808
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Atoms and Molecules in the Ground State
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Book Description Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions. 376 pp. Englisch. Seller Inventory # 9789401017800
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