On the local structure of the correlation factor for the ground state of the helium atom

Authors
Arbuznikov, AV Hendrickx, M
Citation
Av. Arbuznikov et M. Hendrickx, On the local structure of the correlation factor for the ground state of the helium atom, CHEM P LETT, 334(4-6), 2001, pp. 325-329
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
334
Issue
4-6
Year of publication
2001
Pages
325 - 329
Database
ISI
SICI code
0009-2614(20010209)334:4-6<325:OTLSOT>2.0.ZU;2-D
Abstract
The correlation factor in the explicitly correlated wave function for the g round state of the helium atom has been analyzed. The general structure of the correlation factor (including its angular dependency) in the region of small viz has been obtained. The 'extent of non-sphericity' of the correlat ion factor, g(r(1), r(2), r(12)), is proportional to the first derivative o f logarithm of the 'coalescence function' h(r) = g(r, r, 0). (C) 2001 Elsev ier Science B.V. All rights reserved.