Algorithm for eigenvalues of generalized spheroidal wave equations that constructs analytic derivatives as three-term recurrences within the continued-fraction method and demonstrates it on quasimolecular systems including H2+ at large separations.
We obtained the equilibrium distances ofR e = 12.546 083 658 617 457 a.u
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Generalized spheroidal wave equation for real and complex valued parameters. An algorithm based on the analytic derivatives for the eigenvalues
Algorithm for eigenvalues of generalized spheroidal wave equations that constructs analytic derivatives as three-term recurrences within the continued-fraction method and demonstrates it on quasimolecular systems including H2+ at large separations.