An energy functional of electron-pair density
Journal Article
·
· Journal of Chemical Physics; (USA)
- Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050 (Japan)
The electron-pair (or intracule) density is the probability density function for an interelectronic vector and is intimately related to the electron correlation in many-electron systems. Based on the local scaling method, a theory is presented for the direct variational determination of the electron-pair density. Illustrative applications are given for the ground state of the helium atom. Simple electron-pair density functions are reported which compare quantitatively with the exact density.
- OSTI ID:
- 6356204
- Journal Information:
- Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 93:8; ISSN JCPSA; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Accurate algebraic densities and intracules for heliumlike ions
Wave functions and two-electron probability distributions of the Hooke's-law atom and helium
Towards a practical pair density-functional theory for many-electron systems
Journal Article
·
Thu Dec 31 23:00:00 EST 1992
· International Journal of Quantum Chemistry; (United States)
·
OSTI ID:5765054
Wave functions and two-electron probability distributions of the Hooke's-law atom and helium
Journal Article
·
Fri Aug 01 00:00:00 EDT 2003
· Physical Review. A
·
OSTI ID:20640047
Towards a practical pair density-functional theory for many-electron systems
Journal Article
·
Sun Aug 01 00:00:00 EDT 2004
· Physical Review. A
·
OSTI ID:20645889