ENGLISH

Mathematical physics in theoretical chemistry

By Blinder S.M. , House J.E. (eds.)

Book information

Publisher
Elsevier
Year
2019
ISBN
978-0-12-813651-5, 0128136510
Language
english
Format
PDF
Filesize
3 MB (3332600 bytes)
Series
Developments in physical & theoretical chemistry
Edition
First edition
Pages
408\412
Topic
Chemistry
Library
kolxo3
Time added
2019-04-25 18:00:00
ChemistryPhysical and theoretical -- Mathematics.;Mathemati

Description

Content: 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

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