
Mathematical Physics in Theoretical Chemistry
Resources
Description
Key Features
- Brings together the most important aspects and recent advances in theoretical and computational chemistry
- Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers
- Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry
Readership
Table of Contents
1. The Hartree-Fock Approximation
2. Slater and Gaussian Basis Functions and Computation of Molecular Integrals
3. Post Hartree-Fock Methods: Configuration Interaction, Many-Body Perturbation Theory, Couple-Cluster Theory
4. Density-Functional Methods
5. Vibrational Energies and Partition Functions
6. Quantum Monte-Carlo
7. Computational Chemistry on Personal Computers
9. Chemical Applications of Graph Theory
10. Singularity Analysis in Quantum Chemistry
11. Diagrammatic Methods in Quantum Chemistry
12. Quantum Chemistry on a Quantum Computer
Product details
- No. of pages: 423
- Language: English
- Copyright: © Elsevier 2018
- Published: November 21, 2018
- Imprint: Elsevier
- Paperback ISBN: 9780128136515
- eBook ISBN: 9780128137017
About the Editors
S. M. Blinder
Affiliations and Expertise
J. E. House
Affiliations and Expertise
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