A chemist's guide to density functional theory. (2nd ed.)

• Main Author: Koch, Wolfram. ; Holthausen, Max C.
• Format: Book
• Language: English
• Published: Wiley-VCH 2020
• Subjects: Cấu trúc điện tử. ; Hóa học lượng tử > Toán học. ; Density functionals. ; Electronic structure. ; Quantum chemistry > Mathematics.; 541.28 KOC 2001
• Online Access: http://repository.vnu.edu.vn/handle/VNU_123/92871
• Institution: Vietnam National University, Hanoi

The Definition of the Model --|tElementary Quantum Chemistry --|tThe Schrodinger Equation --|tThe Variational Principle --|tThe Hartree-Fock Approximation --|tThe Restricted and Unrestricted Hartree-Fock Models --|tElectron Correlation --|tElectron Density and Hole Functions --|tThe Electron Density...