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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
chemistry
A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu
Chemical Physics Letters, Volume 208, No. 1-2, Year 1993
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Description
A Set of seven-component f-type polarization functions has been optimized for use with the pseudo-potentials of Hay and Wadt at the CISD level of theory for the transition metals ScCu, YAg, LaAu in the energetically lowest-lying s1 dn electronic state. © 1993.
Authors & Co-Authors
Ehlers, Andreas Wolfgang
Germany, Marburg
Philipps-universität Marburg
Frenking, Gernot
Germany, Marburg
Philipps-universität Marburg
Statistics
Citations: 1,972
Authors: 2
Affiliations: 1
Identifiers
Doi:
10.1016/0009-2614(93)80086-5
ISSN:
00092614