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
8. Quantitative Structure-Activity Relationship (QSAR) models for Chemical Structures and Biological Activity
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
The field of theoretical and computational chemistry is rapidly evolving as new algorithms and techniques are developed. Mathematical Physics in Theoretical Chemistry deals with the important topics in theoretical and computational chemistry, presenting them in a unified and efficient mannaer. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods.
Mathematical Physics in Theoretical Chemistry is the second volume in the Developments in Physical & Theoretical Chemistry series. Each volume in the series contains highlights of the major advances and developments in research and serves as a basis for advanced study. With a multi-disciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry to efficiently keep abreast of developments in physical and theoretical chemistry.
- Brings together in one volume the most important aspects of recent advances in theoretical and computational chemistry
- Topics covered include 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 applicable to graduate students and research professionals in chemistry, physics, materials science, and biochemistry
Graduate students and research professionals in chemistry, physics, materials science, and biochemistry
- No. of pages:
- © Elsevier 2019
- 1st September 2018
- Paperback ISBN:
Seymour Michael Blinder is a Professor Emeritus of Chemistry and Physics at the University of Michigan, Ann Arbor, and a telecommuting senior scientist with Wolfram Research in Champaign, Illinois. His research interests include theoretical chemistry, mathematical physics, applications of quantum mechanics to atomic and molecular structure, theory and applications of Coulomb Propagators, structure and self-energy of the electron, supersymmetric quantum field theory, and quantum computers.Blinder has authored over 200 journal articles in theoretical chemistry and mathematical physics, and has published four books.
Professor Emeritus, Chemistry and Physics, University of Michigan, Ann Arbor, MI, USA
J.E. House is Scholar in Residence, Illinois Wesleyan University, and Emeritus Professor of Chemistry, Illinois State University. He received BS and MA degrees from Southern Illinois University and the PhD from the University of Illinois, Urbana. In his 32 years at Illinois State, he taught a variety of courses in inorganic and physical chemistry. He has authored almost 150 publications in chemistry journals, many dealing with reactions in solid materials, as well as books on chemical kinetics, quantum mechanics, and inorganic chemistry. He was elected Professor of the Year in 2011 by the student body at Illinois Wesleyan University. He is the Series Editor for Elsevier's Developments in Physical & Theoretical Chemistry series, and a member of the editorial board of The Chemical Educator.
Emeritus Professor of Chemistry, Illinois State University, Normal, and Scholar in Residence, Chemistry, Illinois Wesleyan University, Bloomington, IL, USA