Electronic, Atomic and Molecular Calculations

Applying the Generator Coordinate Method
Erscheinungsjahr 2007
ISBN: 978-0-444-52781-3
Verlag: Elsevier Science & Technology

Buch, Englisch, 320 Seiten, Format (B × H): 156 mm x 234 mm, Gewicht: 629 g

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.

Zielgruppe

For researchers and graduate students in quantum chemistry, computational chemistry and nuclear physics

Autoren/Hrsg.

Trsic, Milan

da Silva, Alberico

Fachgebiete

• Naturwissenschaften Physik Elektromagnetismus Magnetismus
• Naturwissenschaften Physik Elektromagnetismus Elektrizität, Elektrodynamik
• Naturwissenschaften Physik Quantenphysik Atom- und Molekülphysik
• Naturwissenschaften Biowissenschaften Angewandte Biologie Biomathematik
• Naturwissenschaften Physik Elektromagnetismus Halbleiter- und Supraleiterphysik
• Naturwissenschaften Physik Physik Allgemein Theoretische Physik, Mathematische Physik, Computerphysik

Inhaltsverzeichnis

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