Electronic, Atomic and Molecular Calculations. Applying the Generator Coordinate Method

✍ Scribed by Milan Trsic and Albérico B.F. da Silva (Auth.)

• Publisher: Elsevier Science
• Year: 2007
• Tongue: English
• Leaves: 301
• Edition: 1
• Category: Library

✦ Synopsis

The Generator Coordinate Method (GCM) is a mathematical tool for the understanding of stable atomic nuclei. Electronic, Atomic and Molecular Calculations is designed to assist scientists applying GCM in the analysis of the electronic structure of atoms and molecules. There have been numerous publications covering nuclear physics and electronic structure of atoms and molecules, but this book is unique in the sense that it specifically addresses the application of GCM for such purposes. Using this book, researchers will be able to understand and calculate the electronic structure in a novel manner.

Only book that covers the Generator Coordinate Method and applications for atoms, molecules and nuclei
Clearly describes how the GCM can be used as a powerful tool for design of atomic basis sets
* Reviews current literature on GCM in atomic and molecular fields and a large part of the literature of the method in nuclear physics

✦ Table of Contents

Content:
Preface, Pages xi-xii
Acknowledgements, Pages xiii-xiv
Chapter 1 - Introduction, Pages 1-2
Chapter 2 - The Generator Coordinate Method, Pages 3-8
Chapter 3 - Analytical and Numerical Experiments for Simple Systems, Pages 9-17
Chapter 4 - The Generator Coordinate Hartree-Fock Formalism, Pages 19-29
Chapter 5 - Discretization Techniques, Pages 31-54
Chapter 6 - Role of the Weight Function in the Design of Efficient Basis Sets for Atomic and Molecular Nonrelativistic Calculations, Pages 55-78
Chapter 7 - The Generator Coordinate Dirac-Fock Method and Relativistic Calculations for Atoms and Molecules, Pages 79-150
Chapter 8 - The Generator Coordinate Method and Connections with Natural Orbitals and Density Functional Theory, Pages 151-161
Final Renmarks and perspectives, Pages 163-164
Appendix 1, Page 167
Appendix 2, Page 169
Appendix 3, Pages 171-173
Appendix 4, Pages 175-178
Appendix 5, Pages 179-297
Subject Index, Pages 299-306