Determination of electronic energy levels for the heteromolecular ions HeH2+, LiH3+, and BeH4+ from the Hamilton-Jacobi equation

Determination of electronic energy levels for the heteromolecular ions HeH2+, LiH3+, and BeH4+ from the Hamilton-Jacobi equation

By making use of the Hamilton–Jacobi equation, we obtain the exact value of the electronic energy levels for the heteromolecular ions HeH2+, LiH3+, and BeH4+ as a function of nuclear distance. The Hylleraas method in association with the series established by Wind–Jaffé was applied to these molecula...

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Veröffentlicht in:International journal of quantum chemistry 2006, Vol.106 (13), p.2587-2596
Hauptverfasser: Campos, J. A., Nascimento, D. L., Cavalcante, D. T., Fonseca, A. L. A., Nunes, A. O. C.
Format: Artikel
Sprache:eng
Schlagworte:
electronic energy levels
Hamilton-Jacobi equation
heteromolecular ions
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Zusammenfassung:By making use of the Hamilton–Jacobi equation, we obtain the exact value of the electronic energy levels for the heteromolecular ions HeH2+, LiH3+, and BeH4+ as a function of nuclear distance. The Hylleraas method in association with the series established by Wind–Jaffé was applied to these molecular ions. The results are in good agreement with those found in the literature. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.21015