ELECTRONIC-STRUCTURES OF D(0) COMPLEXES BY THE DV-X-ALPHA METHOD

Authors
MUKOYAMA T ADACHI H
Citation
T. Mukoyama et H. Adachi, ELECTRONIC-STRUCTURES OF D(0) COMPLEXES BY THE DV-X-ALPHA METHOD, Chemical physics letters, 215(1-3), 1993, pp. 93-96
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
215
Issue
1-3
Year of publication
1993
Pages
93 - 96
Database
ISI
SICI code
0009-2614(1993)215:1-3<93:EODCBT>2.0.ZU;2-6
Abstract
The electronic structures of TcO4-, RuO4, ReO4- and OsO4 have been stu died using the discrete-variational Xalpha molecular orbital method. T he calculated ordering and the ionization potentials of the valence or bitals are compared with the experimental results.