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.
Sprache
Verlagsort
Verlagsgruppe
Elsevier Science & Technology
Zielgruppe
Für Beruf und Forschung
For researchers and graduate students in quantum chemistry, computational chemistry and nuclear physics
Maße
Höhe: 240 mm
Breite: 165 mm
Gewicht
ISBN-13
978-0-444-52781-3 (9780444527813)
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Schweitzer Klassifikation
Autor*in
Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil
Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, Brazil
1. Introduction2. The Generator Coordinate Method3. Analytical and Numerical Experiments for Simple Systems4. The Generator Coordinate Hartree-Fock Formalism5. Discretization Techniques6. The Role of the Weight Function in the Design of Efficient Basis Sets for Atomic and Molecular Nonrelativistic Calculations7. The Generator Coordinate Dirac-Fock Method and Relativistic Calculations for Atoms and Molecules8. The Generator Coordinate Method and Connections with Natural Orbitals and Density Functional Theory