Mathematical physics in theoretical chemistry First Edition

Mathematical physics in theoretical chemistry First Edition – Ebook Instant Download/Delivery ISBN(s): 9780128136515,0128136510

Product detail:

• ISBN-10 ‏ : ‎ 0128136510
• ISBN-13 ‏ : ‎ 978-0128136515
• Author:  S.M. Blinder, James E. House

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry.

• 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

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

People also search: