On the use of complex GTOs for the evaluation of radial integrals involving oscillating functions
arXiv:2405.10032 · doi:10.1016/bs.aiq.2023.03.002
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.
19 pages, 4 figures