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Localization and Delocalization in Quantum Chemistry : Volume 1 : Atoms and Molecules in the Ground State

Chalvet, Odilon, Raymond Daudel, Simon Diner, Jean Paul Malrieu (eds)

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ISBN 10: 9027705593 / ISBN 13: 9789027705594
Published by D Reidel Publishing, Dordrecht, 1975
Used Condition: Near Fine Hardcover
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Slight wear. Crisp NEW copy.; "Papers presented during the academic year 73-74 at an international seminar organized by some members of the Centre de mécanique ondulatoire appliquée du C.N.R.S. and some members of the Laboratoire de chimie quantique de l'Institut de biologie physico-chimique." Stand-alone volume 1. Contents: Preface; Part I Statistical Analysis of the Spatial Localizability of Molecular Electrons (4 papers); Part II Separability and Analysis of Wave Functions in Local Elements (7 papers); Part III Expression of the Energy in terms of Local Contributions (6 papers); Part IV Molecules in an Electromagnetic Field, Additive Systematics (5 papers); Conclusions (5 papers); Index of Names; Index of Subjects. ; Localization and Delocalization in Quantum Chemistry; Vol. 1; 362 pages. Bookseller Inventory # 4016

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Bibliographic Details

Title: Localization and Delocalization in Quantum ...

Publisher: D Reidel Publishing, Dordrecht

Publication Date: 1975

Binding: Hardcover

Book Condition:Near Fine

Dust Jacket Condition: No Dust Jacket

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Synopsis:

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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