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Electronic, Atomic and Molecular Calculations Milan Trsic (Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil)

Electronic, Atomic and Molecular Calculations By Milan Trsic (Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil)

Electronic, Atomic and Molecular Calculations by Milan Trsic (Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil)


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Summary

The Generator Coordinate Method (GCM) is a mathematical tool for the understanding of stable atomic nuclei. This title is designed to assist scientists applying GCM in the analysis of the electronic structure of atoms and molecules. It covers the Generator Coordinate Method and applications for atoms, molecules and nuclei.

Electronic, Atomic and Molecular Calculations Summary

Electronic, Atomic and Molecular Calculations: Applying the Generator Coordinate Method by Milan Trsic (Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil)

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.

Table of Contents

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

Additional information

NPB9780444527813
9780444527813
0444527818
Electronic, Atomic and Molecular Calculations: Applying the Generator Coordinate Method by Milan Trsic (Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, Brazil)
New
Hardback
Elsevier Science & Technology
2007-07-03
320
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
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