Published July 2006
| Version v1
Journal article
Compact 1 1S helium wave functions
Creators
- 1. Department of Chemistry, University of Connecticut, Storrs, Connecticut 06269-3060 (United States)
Description
A highly compact four-parameter form for helium's approximate nonrelativistic wave function is proposed and shown to yield an energy expectation value within 0.003 a.u. of the 'exact' value. The wave function employs proper atomic-number-parametrized hydrogenic orbitals and a correlation function whose form is [1+(1/2)r12e-αr12], coupled with a variationally determined expansion in r1, r2, and r12
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 74
- Journal Issue
- 1
- Journal Page Range
- p. 014501-014501.2
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 38025974
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMS; CORRELATION FUNCTIONS; EXPANSION; EXPECTATION VALUE; HELIUM; S STATES; WAVE FUNCTIONS
- Descriptors DEC
- ELEMENTS; ENERGY LEVELS; FLUIDS; FUNCTIONS; GASES; NONMETALS; RARE GASES
Optional Information
- Notes
- (c) 2006 The American Physical Society