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Density functional theory of many-fermion systems /
Surveys developments in quantum chemistry, with contributions from leading international researchers. Topics discussed include the matrix foundations of the density functional theory, the Gaussian-type orbitals approach to finite systems, and LDA applications to properties of periodic systems.
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Diego :
Academic Press,
�1990.
|
| Colección: | Advances in quantum chemistry ;
v. 21. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- The Beginnings and Some Thoughts on the Future; Density and Density Matrices in Density Functional Theory; Density Matrix Foundations of Density Functional Theory: The Importance of Pure-State N-Representability in the Derivation of Extended Kohn-Sham Equations; Constrained-Search Formulation and Recent Coordinate Scaling in Density-Functional Theory; Density-Functional Theory of the Band Gap; Size-Consistency, Self-Interaction Correction, and Derivative Discontinuity in Density Functional Theory; Density Functional Treatment of Excited States; Self-Energy Approach to Quasiparticle Energies Using a Density Functional Treatment of Dielectric Screening; Response Functions and Nonlocal Approximations; Density-Gradient Expansions; Magnetic Fields and Density Functional Theory; Time-Dependent Density Functional Theory; Integral Formulation of Density Functional Theory; Density Functional Reformulation of Molecular Orbital Theories; The Gaussian-Type Orbitals Density Functional Approach for Finite Systems; Local Density Functional Theories of Ionic and Molecular Solids; LDA Applications to the Properties of Periodic Systems.