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Prog. Theor. Phys. Vol. 15 No. 5 (1956) pp. 501-507

One-Center Expansion of Molecular Wave Function

Sigeru Huzinaga

Department of Industrial Chemistry, Kyoto University, Kyoto

(Received February 20, 1956)

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.

URL : http://ptp.ipap.jp/link?PTP/15/501/
DOI : 10.1143/PTP.15.501

[ Full Text PDF : FREE ACCESS (560K) ] Citation: Plain Text BiBTeX EndNote(RIS) RSS

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Citing Article(s) :

1. Progress of Theoretical Physics Vol. 17 No. 2 (1957) pp. 162-168 :

   One-Center Expansion of Molecular Wave Function, II

   Sigeru Huzinaga

2. Progress of Theoretical Physics Vol. 17 No. 2 (1957) pp. 169-176 :

   One-Center Expansion of Molecular Wave Function, III

   Sigeru Huzinaga

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