Ab initio calculations of lower resonant states of two-electron systems

The complex scaling and the stabilization methods are applied to calculating the parameters of the lowest resonance states of He and Li + . The results obtained by both methods are in a good agreement with the published data. It is shown that the wave functions constructed using the restricted confi...

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Bibliographic Details
Published inRussian journal of physical chemistry. B Vol. 10; no. 1; pp. 133 - 142
Main Authors Preobrazhenskaya, A. A., Adamson, S. O., Kharlampidi, D. D., Dement’ev, A. I.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 2016
Subjects
Chemical Physics of Atmospheric Phenomena
Chemistry
Chemistry and Materials Science
Physical Chemistry
phase shift function
restricted configuration interaction method
resonance
complex scaling
states of He and Li
stabilization method
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Summary:The complex scaling and the stabilization methods are applied to calculating the parameters of the lowest resonance states of He and Li + . The results obtained by both methods are in a good agreement with the published data. It is shown that the wave functions constructed using the restricted configuration interaction approximation provide fairly accurate estimates of the resonance parameters. The possibility of using the stabilization method for calculating the phase shift function is also discussed.
ISSN:1990-7931
1990-7923
DOI:10.1134/S1990793116010115