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November 1, 1966Journal of the Physical Society of Japan206 citations

Gaussian Expansions of Atomic Orbitals

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KOKiyosi O-ohataHTHiroshi TaketaSHSigeru Huzinaga

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Abstract

The details of the method of least squares for obtaining approximate expansions of Slater-type orbitals in terms of Gaussian type orbitals are described. Such Gaussian expansions are given for the 1 s , 2 s , 2 p , 3 s , 3 p and 3 d Slater-type orbitals. These expansions will be good enough to use in the quantum mechenical calculations of molecules.

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Cite This Study

O-ohata et al. (1966) studied this question.

synapsesocial.com/papers/6a213b14a16f1d2b6a5ac95fhttps://doi.org/10.1143/jpsj.21.2306
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