Mathematical Physics in Theoretical Chemistry

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.

Autorentext
S.M. 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 within the fields of theoretical chemistry and mathematical physics have included applications of quantum mechanics to atomic and molecular structure, theory and applications of Coulomb Propagators, structure and self-energy of the electron, supersymmetric quantum mechanics, and quantum computers. He is the author of four books and over 200 journal articles in theoretical chemistry and mathematical physics. 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 has also been elected to the Southern Illinois University Chemistry Alumni Hall of Fame. 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.

Klappentext
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.

Inhalt

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. Chemical Applications of Graph Theory
9. Singularity Analysis in Quantum Chemistry
10. Diagrammatic Methods in Quantum Chemistry
11. Quantum Chemistry on a Quantum Computer