Quantum Chemistry of Solids - Theory, Numerical Methods, Applications

Sep 21, 2026

Uploaded by Quinn

Quantum Chemistry of Solids presents the LCAO first-principles treatment of crystalline materials, grounding its approach in periodicity and quantum theory of electronic structure. The preface frames the subject as a coupled chemical-and-physical understanding of bonding and properties, contrasting purely chemical or purely physical perspectives. The text explains how the traditional molecular quantum chemistry framework is extended to periodic solid systems while correctly incorporating the crystalline potential and associated one-electron states.

LanguageEnglish

CategoryResearch & Report

FormatPDF

Pages558

Reading Time23 h 26 min

AccessFree to download

Preface

Coupled chemical and physical understanding

Molecular quantum chemistry and LCAO

Extension to periodic solid systems

Periodic potential, Bloch-type states and related approximations

Springer Series in solid-state sciences 153 Springer Series in solid-state sciences Series Editors: M. Cardona P. Fulde K. von Klitzing R. Merlin H.-J. Queisser H. Strmer The Springer Series in Solid-State Sciences consists of fundamental scientific books prepared by leading researchers in the ﬁeld. They strive to communicate, in a systematic and comprehensive way, the basic principles as well as new developments in theoretical and experimental solid-state physics. 138 Phase Separation in Soft Matter Physics Micellar Solutions, Microemulsions, Critical Phenomena By P.K. Khabibullaev and A.A. Saidov 139 Optical Response of Nanostructures Microscopic Nonlocal Theory By K. Cho 140 Fractal Concepts in Condensed Matter Physics By T. Nakayama and K. Yakubo 141 Excitons in Low-Dimensional Semiconductors Theory, Numerical Methods, Applications By S. Glutsch 142 Two-Dimensional Coulomb Liquidsand Solids By Y. Monarkha and K. Kono 143 X-Ray Multiple-Wave Diffraction Theory and Application By S.-L. Chang 144 Physics of Transition Metal Oxides By S. Maekawa, T. Tohyama, S.E. Barnes, S. Ishihara, W. Koshibae, and G. Khaliullin 145 Point-Contact Spectroscopy By Y.G. Naidyuk and I.K. Yanson 146 Optics of Semiconductorsand Their Nanostructures Editors: H. Kalt and M. Hetterich 147 Electron Scattering in Solid Matter A Theoretical and Computational Treatise By J. Zabloudil, R. Hammerling, L. Szunyogh, and P. Weinberger 148 Physical Acoustics in the Solid State By B. Lüthi 149 Solitary Waves in Complex Dispersive Media Theory · Simulation · Applications By V.Yu. Belashov and S.V. Vladimirov 150 Topology in Condensed Matter Editor: M.I. Monastyrsky 151 Particle Penetration and Radiation Effects By P. Sigmund 152 Magnetism From Fundamentals to Nanoscale Dynamics By H.C. Siegmann and J. Stöhr 153 Quantum Chemistry of Solids The LCAO First Principles Treatment of Crystals By R.A. Evarestov 154 Low-Dimensional Molecular Metals By N. Toyota, M. Lang and J. Müller Volumes 91–137 are listed at the end of the book. Robert A. Evarestov Quantum Chemistry of Solids The LCAO First Principles Treatment of Crystals With 78 Figures and 126 Tables 1 3 Professor Dr. Robert A. Evarestov St. Petersburg State University Chemistry Department Stary Peterghof University Prospect 26 198504 St. Petersburg, Russia E-mail: [evarest@hm.csa.ru](evarest@hm.csa.ru)[ ](evarest@hm.csa.ru)Series Editors: Professor Dr., Dres. h. c. Manuel Cardona Professor Dr., Dres. h. c. Peter Fulde∗ Professor Dr., Dres. h. c. Klaus von Klitzing Professor Dr., Dres. h. c. Hans-Joachim Queisser Max-Planck-Institut fr Festkrperforschung, Heisenbergstrasse 1, 70569 Stuttgart, Germany ∗ Max-Planck-Institut fr Physik komplexer Systeme, Nthnitzer Strasse 38 01187 Dresden, Germany Professor Dr. Roberto Merlin Department of Physics, 5000 East University, University of Michigan Ann Arbor, MI 48109-1120, USA Professor Dr. Horst Strmer Dept. Phys. and Dept. Appl. Physics, Columbia University, New York, NY 10027 and Bell Labs., Lucent Technologies, Murray Hill, NJ 07974, USA Library of Congress Control Number: 2006936622 ISBN 978-3-540-48746-3 Springer Berlin Heidelberg New York This work is subject to copyright. All rights are reserved, whether the whole or part of the material 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 German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer. Violations are liable to prosecution under the German Copyright Law. Springer is a part of Springer Science+Business Media [springer.com](springer.com) © Springer-Verlag Berlin Heidelberg 2007 The use of gen

FAQs

What core approach does the book use to study solids?

The book focuses on the LCAO first-principles treatment of crystals, extending linear-combination ideas to periodic systems.

How does the book connect quantum chemistry to solid-state physics?

It presents quantum chemistry of solids as a coupled approach, merging chemical understanding of bonding with deep physical description of properties.

Why is periodicity important in the theory presented?

Periodic crystal potential and Bloch-type one-electron states form the basis of the solid-state electronic-structure framework described in the text.

Sep 21, 2026

Uploaded by Quinn