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Concepts of mathematical physics in chemistry : a tribute to Frank E. Harris. Part A /
This volume presents a series of articles concerning current important topics in quantum chemistry.
| Call Number: | Libro Electrónico |
|---|---|
| Other Authors: | , |
| Format: | Electronic eBook |
| Language: | Inglés |
| Published: |
London :
Academic Press, an imprint of Elsevier,
2015.
|
| Edition: | First edition. |
| Series: | Advances in quantum chemistry ;
71. |
| Subjects: | |
| Online Access: | Texto completo |
Table of Contents:
- Front Cover; Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris
- Part A; Copyright; Contents; Preface; Contributors; Chapter One: Frank Harris, a Master of Mountains; Chapter Two: System-Size Dependence in Grand Canonical and Canonical Ensembles; 1. Introduction and Motivation; 2. Canonical and Grand Canonical Ensembles and Their Thermodynamics; 3. Thermodynamic Equivalence for Large Systems; 4. Non-interacting, Homogeneous Systems at Finite System Size; 4.1. Grand Canonical Ensemble; 4.2. Canonical Ensemble; 5. Relationship to Density Functional Theory; A. Appendix
- 2.5. Jaff�e Solutions for the Spheroidal Coordinate Equation and Their Matching with the Solutions in the Hyperboloidal Co...3. The Hydrogen H2+ Molecular Ion; 3.1. Electronic Energies Including the United Atom and Dissociation Limits; 3.2. Molecular Potential Energy Curves and Dunham Parametrization; 3.3. Hyperboloidal Coordinate Wavefunctions; 3.4. Electric Dipole Moment; 4. The HeH2+ Molecular Ion; 4.1. Electronic Energies Including the United Atom and Dissociation Limits; 4.2. Molecular Potential Energy Curves; 4.3. Hyperboloidal and Spheroidal Coordinate Eigenfunctions