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arXiv · 2405.10032

On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions

Abdallah Ammar·Arnaud Leclerc·Lorenzo Ugo Ancarani
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Abstract

We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex Gaussian Type Orbitals, such integrals can be performed analytically. We investigate the reliability of this scheme for low-energy physical parameters. This study serves as a premise in view of potential applications in molecular scattering processes.

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Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani. 2024-05-16. On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions. https://doi.org/10.1016/bs.aiq.2023.03.002

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