Application of the Coulomb spheroidal basis for diatomic molecular calculations

Application of the Coulomb spheroidal basis for diatomic molecular calculations

Characteristics of Rydberg states for diatomic molecules H2, HeH+, C2+,N2+ are calculated in the basis of Coulomb spheroidal wave functions. The results are compared to the more sophisticated calculations and efficiency of the Coulomb spheroidal basis for molecular calculations is examined

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Veröffentlicht in:Journal of physics. Conference series 2012-01, Vol.388 (15), p.152024-1
Hauptverfasser: Defrance, P, Kereselidze, T, Lecointre, J, Machavariani, Z S
Format: Artikel
Sprache:eng
Schlagworte:
Computational efficiency
Computing time
Coulomb friction
Diatomic molecules
Mathematical analysis
Physics
Rydberg states
Wave functions
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Zusammenfassung:Characteristics of Rydberg states for diatomic molecules H2, HeH+, C2+,N2+ are calculated in the basis of Coulomb spheroidal wave functions. The results are compared to the more sophisticated calculations and efficiency of the Coulomb spheroidal basis for molecular calculations is examined
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/388/15/152024