Correlated one-body momentum density for helium to neon atoms

Citation
A. Sarsa et al., Correlated one-body momentum density for helium to neon atoms, J PHYS B, 32(9), 1999, pp. 2245-2255
Citations number
29
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
32
Issue
9
Year of publication
1999
Pages
2245 - 2255
Database
ISI
SICI code
0953-4075(19990514)32:9<2245:COMDFH>2.0.ZU;2-B
Abstract
Starting from explicitly correlated wavefunctions, the one-body momentum de nsity, gamma ((p) over right arrow), and the expectation values [delta((p) over right arrow)] and [p(n)], with n = -2 to +3, have been obtained for th e atoms helium to neon. All the calculations have been carried out by using the Monte Carlo algorithm. An analysis of the numerical accuracy of the me thod has been performed within the Hartree-Fock framework. The effects of t he electronic correlations have been systematically studied by comparing th e correlated results with the corresponding Hartree-Fock ones.