Local density approximations in quantum chemistry and solid state physics
This volume is concerned with an approximate scheme of a very general type; the scheme reduces the many-electron Schroedinger equation, and it assumes that the effective potential in this equation is the sum of the potential from the nuclei, the classical Coulomb potential from the electronic charge-cloud, and a so-called exchange-correlation potential. Topics include fundamental theory: aspects of density functional theory, aspects of the role of single-particle, an equation for the electronic charge density, self-interaction correction, pair correlation energies and local spin-density functionals, and applications: the Hartree-FockSlater method in photoelectron spectroscopy, density functional calculations for atomic clusters, and Dirac scattered wave calculations, among others.
- OSTI ID:
- 6694749
- Report Number(s):
- CONF-8206289-
- Resource Relation:
- Conference: Local density approximations in quantum chemistry and solid state theory conference, Copenhagen, Denmark, 10 Jun 1982
- Country of Publication:
- United States
- Language:
- English
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