Electronic, Atomic and Molecular Calculations
Applying the Generator Coordinate Method
- 1 Edición - 3 de julio de 2007
- Última edición
- Autores: Milan Trsic, Alberico da Silva
- Idioma: Inglés
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… Leer más
Descripción
Descripción
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.
Puntos claves
Puntos claves
* 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
De interès para
De interès para
For researchers and graduate students in quantum chemistry, computational chemistry and nuclear physics
Índice
Índice
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
Detalles del producto
Detalles del producto
- Edición: 1
- Última edición
- Publicado: 30 de agosto de 2011
- Idioma: Inglés
Sobre los autores
Sobre los autores
MT
Milan Trsic
Afiliaciones y experiencia
Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, SP, BrazilAd
Alberico da Silva
Afiliaciones y experiencia
Instituto de Quimica de Sao Carlos (IQSC), Universidade de Sao Paulo, Sao Carlos, BrazilVer libro en ScienceDirect
Ver libro en ScienceDirect
Lee Electronic, Atomic and Molecular Calculations en ScienceDirect