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.
Les mer
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
Les mer
Brings together the most prominent aspects of developments in theoretical and computational 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
Les mer
Produktdetaljer
ISBN
9780128136515
Publisert
2018-11-21
Utgiver
Elsevier Science Publishing Co Inc
Vekt
860 gr
Høyde
235 mm
Bredde
191 mm
Aldersnivå
U, 05
Språk
Product language
Engelsk
Format
Product format
Heftet
Antall sider
423