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
Sprache
Verlagsort
Verlagsgruppe
Elsevier Science & Techn.
ISBN-13
978-0-12-813701-7 (9780128137017)
Schweitzer Klassifikation
1. The Hartree-Fock Approximation 2. Slater and Gaussian Basis Functions and Computation of Molecular Integrals3. 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 Chemistry11. Diagrammatic Methods in Quantum Chemistry 12. Quantum Chemistry on a Quantum Computer
