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

• 主要作者: Koch, Wolfram. ; Holthausen, Max C.
• 格式: 圖書
• 語言: English
• 出版: Wiley-VCH 2020
• 主題: Cấu trúc điện tử. ; Hóa học lượng tử > Toán học. ; Density functionals. ; Electronic structure. ; Quantum chemistry > Mathematics.; 541.28 KOC 2001
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/92871

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...