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

TL;DR

This paper explores an analytical method using complex Gaussian Type Orbitals to evaluate radial integrals involving oscillating functions, aiming to improve calculations in molecular scattering processes.

Contribution

It introduces a novel analytical approach for radial integrals with oscillating functions using complex GTOs, enhancing computational reliability for low-energy parameters.

Findings

Analytical evaluation of integrals using complex GTOs is feasible.

The method shows reliable results for low-energy physical parameters.

Potential applications in molecular scattering are discussed.

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.