Relativistic correlating basis sets for 57La and 89Ac

Copyright 2009 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 31(2010), 3 vom: 15. Feb., Seite 497-9
1. Verfasser: Sekiya, Masahiro (VerfasserIn)
Weitere Verfasser: Noro, Takeshi, Koga, Toshikatsu, Saito, Shiro L
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2010
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article
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520 |a Developed and reported are compact yet efficient correlating basis sets for the (57)La and (89)Ac atoms, missing in the literature. Good performance of these correlating sets is exemplified in molecular applications to diatomic oxides and fluorides 
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