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The eigenenergies for 3S excited states of the helium atom with CFPHGLF method

The eigenenergies for 3S excited states of the helium atom with CFPHGLF method 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chinese Journal of Chemistry Wiley

The eigenenergies for 3S excited states of the helium atom with CFPHGLF method

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References (10)

Publisher
Wiley
Copyright
Copyright © 1997 Wiley Subscription Services, Inc., A Wiley Company
ISSN
1001-604X
eISSN
1614-7065
DOI
10.1002/cjoc.19970150103
Publisher site
See Article on Publisher Site

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.

Journal

Chinese Journal of ChemistryWiley

Published: Jan 1, 1997

Keywords: ; ;

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