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| ELECTRONIC, ATOMIC AND MOLECULAR CALCULATIONS
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Applying the Generator Coordinate Method
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By
Milan Trsic, Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil
Alberico da Silva, Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, Brazil
Description
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.
Audience
For researchers and graduate students in quantum chemistry, computational chemistry and nuclear physics
Contents
1. Introduction
2. The Generator Coordinate Method
3. Analytical and Numerical Experiments for Simple Systems
4. The Generator
Coordinate Hartree-Fock Formalism
5. Discretization Techniques
6. The Role of the Weight Function in the Design of Efficient
Basis Sets for Atomic and Molecular Nonrelativistic Calculations
7. The Generator Coordinate Dirac-Fock Method and Relativistic
Calculations for Atoms and Molecules
8. The Generator Coordinate Method and Connections with Natural Orbitals and Density Functional
Theory
| Bibliographic details |
Hardbound, 320 pages, publication date: JUL-2007
ISBN-13: 978-0-444-52781-3
ISBN-10: 0-444-52781-8
Imprint: ELSEVIER
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| Price and Ordering |
Price:
GBP 150
USD 240
EUR 176.95
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Last update: 5 Sep 2009
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