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May 1, 1956Progress of Theoretical Physics22 citations

One-Center Expansion of Molecular Wave Function

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SHSigeru Huzinaga

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Abstract

The possibility of expanding molecular wave functions into a series of functions with a single center is examined. The calculations are performed for the ground state energies of H2+ and H2 with reasonable results. For example, a simple expansion yields 3.80 e.v. as the binding energy of H2. The advantage of this method is, above all, its simplicity in calculations.

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Sigeru Huzinaga (1956) studied this question.

synapsesocial.com/papers/6a8b0404b676b7d1a2fb4e6chttps://doi.org/10.1143/ptp.15.501
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