Relativistic correlating basis sets for 57La and 89Ac.

J Comput Chem

Department of Intercultural Studies, Tomakomai Komazawa University, Tomakomai, Hokkaido 059-1292, Japan.

Published: February 2010

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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http://dx.doi.org/10.1002/jcc.21341DOI Listing

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