AB-INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17

Authors
BERGNER A DOLG M KUCHLE W STOLL H PREUSS H
Citation
A. Bergner et al., AB-INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17, Molecular physics, 80(6), 1993, pp. 1431-1441
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
80
Issue
6
Year of publication
1993
Pages
1431 - 1441
Database
ISI
SICI code
0026-8976(1993)80:6<1431:AEPFEO>2.0.ZU;2-V
Abstract
Quasi-relativistic energy-adjusted ab initio pseudopotentials for the elements of groups 13-17 up to atomic number 53 (I) are presented toge ther with corresponding energy-optimized valence basis sets. Test calc ulations for atomic excitation and ionization energies show the reliab ility of the derived pseudopotentials and basis sets.