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Lecture Notes in Quantum Chemistry II

European Summer School in Quantum Chemistry

  • Björn O. Roos

Part of the Lecture Notes in Chemistry book series (LNC, volume 64)

Table of contents

  1. Front Matter
    Pages i-vii
  2. Nicholas C. Handy
    Pages 91-124
  3. Peter R. Taylor
    Pages 125-202
  4. Andrzej J. Sadlej
    Pages 203-230
  5. Roland Lindh, Per-Åke Malmqvist
    Pages 231-340
  6. Back Matter
    Pages 341-344

About this book

Introduction

The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn­ ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 • Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.

Keywords

Computerchemie Quantenchemie Quantum Chemistry Theoretische Chemie computational chemistry theoretical chemistry

Editors and affiliations

  • Björn O. Roos
    • 1
  1. 1.Department of Theoretical Chemistry Chemical CentreUniversity of LundLundSweden

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-57890-8
  • Copyright Information Springer-Verlag Berlin Heidelberg 1994
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-58620-3
  • Online ISBN 978-3-642-57890-8
  • Series Print ISSN 0342-4901
  • Buy this book on publisher's site