A systematic preparation of new contract
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Hiroshi Tatewaki; Yoshiko Sakai; Sigeru Huzinaga
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Article
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1981
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John Wiley and Sons
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English
⚖ 292 KB
## Abstract The Gaussian‐type basis sets for molecular calculations are usually prepared by an atomic SCF program in which spherical coordinates are used. On the other hand, many molecular SCF and CI programs are written by using the Cartesian coordinates and as a result six‐membered __d__‐type fun