Volume 15, Issue 1 pp. 13-16
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The eigenenergies for 3S excited states of the helium atom with CFPHGLF method

Yi-Xuan Wang

Yi-Xuan Wang

Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China

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Cong-Hao Deng

Cong-Hao Deng

Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China

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First published: 27 August 2010
Citations: 1

Abstract

The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrödinger equation for n3S(n=2–5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively.

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