February 1, 1970

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

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Resumen

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.

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Arthur J. H. Wachters (Sun,) studied this question.

synapsesocial.com/papers/6a12958b1d9aa3bb4e346718 https://doi.org/https://doi.org/10.1063/1.1673095

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