Application of the Coulomb spheroidal basis for diatomic molecular calculations

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Abstract

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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Defrance, P., Kereselidze, T., Lecointre, J., & Machavariani, Z. S. (2012). Application of the Coulomb spheroidal basis for diatomic molecular calculations. In Journal of Physics: Conference Series (Vol. 388). Institute of Physics Publishing. https://doi.org/10.1088/1742-6596/388/15/152024

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