NONRELATIVISTIC ENERGIES FOR THE BE ATOM - DOUBLE-LINKED HYLLERAAS-CICALCULATION

Authors
BUSSE G KLEINDIENST H LUCHOW A
Citation
G. Busse et al., NONRELATIVISTIC ENERGIES FOR THE BE ATOM - DOUBLE-LINKED HYLLERAAS-CICALCULATION, International journal of quantum chemistry, 66(3), 1998, pp. 241-247
Citations number
24
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
66
Issue
3
Year of publication
1998
Pages
241 - 247
Database
ISI
SICI code
0020-7608(1998)66:3<241:NEFTBA>2.0.ZU;2-D
Abstract
Hylleraas-configuration interaction (CI) calculations have been carrie d out with double-linked basis sets for the Be atom. Our best upper bo und for the S-1 ground state is E-0, = -14.6673547E(h),,. Furthermore, upper bounds for the two lowest excited S-1 states have been calculat ed. (C) 1998 John Wiley & Sons, Inc.