I-K-2 Two-Center of Coulomb Functions

Miyabi HIYAMA (Grad. Univ. for Advanced Studies) and Hiroki NAKAMURA

[Comp. Phys. Comm. 103, 209 (1997)]

Two-center Coulomb functions are crucial to describe the ionization continua of diatomic molecules, since the latter cannot be well represented by linear combinations of one-center Coulomb functions. A code to numerically evaluate the two-center angular as well as radial regular Coulomb functions is presented here.


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