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

• URL: http://arxiv.org/abs/2405.10032v1
• Date: Thu, 16 May 2024 12:15:02 GMT
• Title: On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions
• Authors: Abdallah Ammar, Arnaud Leclerc, Lorenzo Ugo Ancarani,
• Abstract summary: We study two classes of radial integrals involving a product of bound and continuum one-electron states. 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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• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• 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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