Lower bounds to energy levels of two-electron atoms

M. Cohen; R. P. McEachran; S. Cameron; J. A. Stauffer

doi:10.1088/0022-3700/4/8/016

Lower bounds to energy levels of two-electron atoms

M. Cohen^*, R. P. McEachran, S. Cameron, J. A. Stauffer

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

Lower bounds to the energy levels of the ground states of the helium isoelectronic sequence and of excited singlet and triplet S states of He and Li⁺ have been calculated, using analytical orbital wavefunction of 'frozen core' type and a variety of lower bound formulae. Only the bounds which result from the formulae of Cohen and Feldmann are generally useful. The numerical results indicate that the 'frozen core' wavefunctions for two-electron atoms are of satisfactory quality.

Original language	English
Article number	016
Pages (from-to)	1109-1114
Number of pages	6
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	4
Issue number	8
DOIs	https://doi.org/10.1088/0022-3700/4/8/016
State	Published - 1971

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10.1088/0022-3700/4/8/016

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abstract = "Lower bounds to the energy levels of the ground states of the helium isoelectronic sequence and of excited singlet and triplet S states of He and Li+ have been calculated, using analytical orbital wavefunction of 'frozen core' type and a variety of lower bound formulae. Only the bounds which result from the formulae of Cohen and Feldmann are generally useful. The numerical results indicate that the 'frozen core' wavefunctions for two-electron atoms are of satisfactory quality.",

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AU - Cameron, S.

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N2 - Lower bounds to the energy levels of the ground states of the helium isoelectronic sequence and of excited singlet and triplet S states of He and Li+ have been calculated, using analytical orbital wavefunction of 'frozen core' type and a variety of lower bound formulae. Only the bounds which result from the formulae of Cohen and Feldmann are generally useful. The numerical results indicate that the 'frozen core' wavefunctions for two-electron atoms are of satisfactory quality.

AB - Lower bounds to the energy levels of the ground states of the helium isoelectronic sequence and of excited singlet and triplet S states of He and Li+ have been calculated, using analytical orbital wavefunction of 'frozen core' type and a variety of lower bound formulae. Only the bounds which result from the formulae of Cohen and Feldmann are generally useful. The numerical results indicate that the 'frozen core' wavefunctions for two-electron atoms are of satisfactory quality.

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Lower bounds to energy levels of two-electron atoms

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