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Relativistic Electronic Structure Theory

✍ Scribed by Peter Schwerdtfeger (Eds.)

Publisher
Elsevier, Academic Press
Year
2002
Tongue
English
Leaves
947
Series
Theoretical and Computational Chemistry 11
Category
Library
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✦ Synopsis

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area. ·No title is currently available that deals with new developments in relativistic quantum electronic structure theory·Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry·As treatment of heavy elements becomes more important, there will be a constant demand for this title

✦ Table of Contents

Content:
Preface
Pages v-viii
Peter Schwerdtfeger

Chapter 1 Tour historique Original Research Article
Pages 1-22
J.P. Desclaux

Chapter 2 The dirac operator Original Research Article
Pages 23-106
Bernd Thaller

Chapter 3 Relativistic self-consistent fields Original Research Article
Pages 107-202
Ian P. Grant, Harry M. Quiney

Chapter 4 Nuclear charge density distributions in quantum chemistry Original Research Article
Pages 203-258
Dirk Andrea

Chapter 5 Basis sets for relativistic calculations Original Research Article
Pages 259-290
Knut F˦gri Jr, Kenneth G. Dyall

Chapter 6 Post dirac-hartree-fock methods-electron correlation Original Research Article
Pages 291-331
Lucas Visscher

Chapter 7 Post Dirac-Hartree-Fock methodsβ€”properties Original Research Article
Pages 332-400
Trond Saue

Chapter 8 QED theory of atoms Original Research Article
Pages 401-467
L.N. Labzowsky, Igor Goidenko

Chapter 9 Parity violation Original Research Article
Pages 468-522
J. Sapirstein

Chapter 10 Relativistic density functional theory: Foundations and basic formalism Original Research Article
Pages 523-621
E. Engel

Chapter 11 Two-component methods and the generalised Douglas-Kroll transformation Original Research Article
Pages 622-663
Alexander Wolf, Markus Reiher, Bernd A. Hess

Chapter 12 Perturbation theory of relativistic effects Original Research Article
Pages 664-757
Werner Kutzelnigg

Chapter 13 Perturbation theory based on quasi-relativistic hamiltonians Original Research Article
Pages 758-792
D. Sundholm

Chapter 14 Relativistic effective core potentials Original Research Article
Pages 793-862
M. Dolg

Chapter 15 Relativistic solid state theory Original Research Article
Pages 863-918
N.E. Christensen

Index
Pages 919-926

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