Non-local correlation and point transformations in density functional theory
- 1. Instituto Venezolano de Investigaciones Cientificas, Caracas (Venezuela)
Description
The present day importance of density functional theory stems from the fact that it attempts to bypass the usual treatment of a quantum mechanical many-body problem based on Schroedinger's equation and to replace it by another one whose fundamental mathematical entity is the one-particle density /rho/ (/rvec/r1). Obviously, since /rho/ (/rvec/r1) depends, regardless of the size of the physical system, only upon 3 spatial coordinates, such an undertaking, if successful, would bring considerable simplifications to the many body problem. The authors discuss some recent results concerning the non-local kinetic energy term. They show that this non-local term is a basic ingredient of density functional theory and, in particular, they indicate how this also applies to the exact differential equation for /rho/ (r)/sup 1/2/ recently advanced by Levy, Perdew and Sahni. Finally, they briefly discuss the use of point transformations for the representation of the non-local correlation function
Additional details
Publishing Information
- Publisher
- Plenum Press.
- Imprint Place
- New York, NY (USA)
- Imprint Title
- Condensed matter theories. Volume 2
- Journal Page Range
- p. 121-130.
Conference
- Title
- 10. international workshop on condensed matter theories.
- Dates
- 21-26 Jul 1986.
- Place
- Argonne, IL (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 20066807
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOMIC MODELS; CONFIGURATION INTERACTION; CORRELATION FUNCTIONS; COULOMB FIELD; ELECTRON CORRELATION; ELECTRON EXCHANGE; ELECTRONIC STRUCTURE; ENERGY DENSITY; FUNCTIONALS; GROUND STATES; HAMILTONIANS; HARTREE-FOCK METHOD; KINETIC ENERGY; MANY-BODY PROBLEM; NEON; SCHROEDINGER EQUATION; SERIES EXPANSION; TRANSFORMATIONS; WAVE FUNCTIONS
- Descriptors DEC
- CORRELATIONS; DIFFERENTIAL EQUATIONS; ELECTRIC FIELDS; ELECTRON TRANSFER; ELEMENTS; ENERGY; ENERGY LEVELS; EQUATIONS; FUNCTIONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; NONMETALS; PARTIAL DIFFERENTIAL EQUATIONS; QUANTUM OPERATORS; RARE GASES; WAVE EQUATIONS