Published 1986
| Version v1
Report
Formulation of the Hohenberg-Kohn-Sham theory
Description
The formal structure of density functional theory should include a third theorem stating that: the internal symmetry of the system, through a set of parameters {c/sub i,N/}, is a necessary part of the theory. The variational equations should read δE[rho;{c/sub i,N/}] = 0, and the parameters C/sub i,N/ included either in the construction of the density function (as in the Kohn-Sham procedure) or in the energy functional itself
Additional details
Publishing Information
- Imprint Title
- Proceedings of the International Symposium on atomic, molecular and solid-state theory, scattering problems, many body phenomena, and computational quantum chemistry: quantum chemistry symposium No. 20
- Journal Page Range
- p. 767-768.
- Report number
- DOE/ER/60420--1
Conference
- Title
- Special Sanibel symposium.
- Dates
- 8 Mar 1986.
- Place
- St. Augustine, FL (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19009567
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference, Non-conventional Literature
- Descriptors DEI
- CHEMISTRY; DIFFERENTIAL EQUATIONS; ELECTRON DENSITY; ELECTRONIC STRUCTURE; ENERGY DENSITY; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MOLECULAR MODELS; MOLECULAR STRUCTURE; POTENTIALS; QUANTUM MECHANICS; SYMMETRY; VARIATIONAL METHODS
- Descriptors DEC
- EQUATIONS; MECHANICS