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Non-exponential wave functions in elliptical coordinates for molecules I

The 1sσ g ground state and the 2pσ u excited state of the H +2

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Acta Physica Academiae Scientiarum Hungaricae

Abstract

The potential energy curves of the H +2 in the 1sσ g stable ground state and in the 2pσ u first excited state are determined with a simple analytical non-exponential wave function in elliptical coordinates using the variational method. The calculated energy values agree very well with the corresponding exact ones in the whole considered range of the internuclear distance (0.5≤R≤10a 0, resp. 13a 0). The 1sσ g state has a deep potential minimum, the 2pσ u has a very shallow one.

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Authors and Affiliations

  1. Institute of Theoretical Physics, Kossuth Lajos University, H-4010, Debrecen

    I. Tamássy-Lentei

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  1. I. Tamássy-Lentei
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Tamássy-Lentei, I. Non-exponential wave functions in elliptical coordinates for molecules I. Acta Physica 40, 111–115 (1976). https://doi.org/10.1007/BF03157094

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  • DOI: https://doi.org/10.1007/BF03157094

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