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Evarestov St.

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Petersburg, Russia E-mail: evarest hm. Manuel Cardona Professor Dr. Klaus von Klitzing Professor Dr. All rights are reserved,whether thewholeorpart of thematerial is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the GermanCopyright Law of September 9, , in its current version, and permission for use must always be obtained from Springer.


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Violations are liable to prosecution under the German Copyright Law. The quantum chemistry of solids can be considered as a realization of such a coupled approach. The basis of the theory of the electronic structure of solids is the periodicity of the crystalline potential and Bloch- type one-electron states, in the majority of cases approximated by a linear combina- tion of plane waves LCPW.

In the condensed- matter studies the accurate description of the system at an atomic scale was much less advanced [4]. During the last 10 years this gap between molecular quantum chemistry and the theory of the crystalline electronic structure has become smaller.

Quantum chemistry of solids : the LCAO first principles treatment of crystals

The concepts of standard solid-state theory are now compatible with an atomic-scale description of crystals. These codes are listed in Appendix C. VIII Preface In this book we have made an attempt to describe the basic theory and practical methods of modern quantum chemistry of solids.

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This book would not have appeared without the help of Prof. Cardona who supported the idea of its writing and gave me useful advice. I am grateful to Prof. If the address matches an existing account you will receive an email with instructions to retrieve your username. Evarestov Corresponding Author E-mail address: re re Losev Department of Quantum Chemistry, St. Panin Department of Quantum Chemistry, St.

Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals

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