articleTop 10% cited
Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
The Journal of Chemical Physics · 1970 · Vol. 52(3) · pp. 1033–1036
Arthur J. H. Wachters✉(IBM (United States))
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.
Spectroscopy and Laser ApplicationsMolecular spectroscopy and chiralityAdvanced Chemical Physics StudiesBasis (linear algebra)GaussianBasis setSet (abstract data type)Type (biology)Wave functionSTO-nG basis setsMathematicsEnergy (signal processing)Combinatorics
Funding
- Rijksuniversiteit Groningen
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3,408
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References
Gaussian-Type Functions for Polyatomic Systems. I
The Journal of Chemical Physics · 1965 · 4,957 citations
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