Publication
The Journal of Chemical Physics
Paper

Gaussian basis set for molecular wavefunctions containing third-row atoms

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Abstract

A Gaussian basis set consisting of 14s-type, 9p-type, and 5d-type functions has been optimized for the third-row atoms up to Zn. Energy values are reported for different contractions of this basis set.

Date

08 Sep 2003

Publication

The Journal of Chemical Physics

Authors

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