Published July 2006 | Version v1
Journal article

Compact 1 1S helium wave functions

  • 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