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

Autor Milan Trsic, Alberico da Silva
en Limba Engleză Hardback – 2 iul 2007
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
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Specificații

ISBN-13: 9780444527813
ISBN-10: 0444527818
Pagini: 320
Dimensiuni: 165 x 240 x 18 mm
Greutate: 0.71 kg
Editura: ELSEVIER SCIENCE

Public țintă

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

Cuprins

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