A VARIATIONAL MONTE-CARLO STUDY OF THE 2S-2P NEAR DEGENERACY IN BERYLLIUM, BORON, AND CARBON-ATOMS

Authors
SARSA A GALVEZ FJ BUENDIA E
Citation
A. Sarsa et al., A VARIATIONAL MONTE-CARLO STUDY OF THE 2S-2P NEAR DEGENERACY IN BERYLLIUM, BORON, AND CARBON-ATOMS, The Journal of chemical physics, 109(9), 1998, pp. 3346-3351
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
109
Issue
9
Year of publication
1998
Pages
3346 - 3351
Database
ISI
SICI code
0021-9606(1998)109:9<3346:AVMSOT>2.0.ZU;2-U
Abstract
We apply the variational Monte Carlo method to study the beryllium, bo ron, and carbon atoms. An explicitly correlated wave function is used in order to include the dynamic correlation among the electrons. The n ondynamic correlation due to the 2s-2p near degeneracy effect present in these atoms is taken into account by using a multideterminant wave function. (C) 1998 American Institute of Physics.