QUANTUM-CHEMICAL STUDY ON COMPLEXES OF THE LIH MOLECULE WITH E(-) INCLUDING CORRELATION-ENERGY(), PS AND PS()

Authors
STRASBURGER K
Citation
K. Strasburger, QUANTUM-CHEMICAL STUDY ON COMPLEXES OF THE LIH MOLECULE WITH E(-) INCLUDING CORRELATION-ENERGY(), PS AND PS(), Chemical physics letters, 253(1-2), 1996, pp. 49-52
Citations number
9
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
253
Issue
1-2
Year of publication
1996
Pages
49 - 52
Database
ISI
SICI code
0009-2614(1996)253:1-2<49:QSOCOT>2.0.ZU;2-0
Abstract
SCF and CI energies of the LiH, LiH-, e(+)LiH, LiHPs and LiHPs(-) syst ems have been evaluated in the extended basis set at the experimental geometry of LiH. Electron and positron affinities of the LiH molecule have been compared. The results indicate the importance of the correla tion energy in positron-molecule complexes.