论文信息 - Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms

Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms

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.

A. Wachters | A. J. H. Wachters

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