The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation

Abstract
VOLSCAT is a computer program which implements the Single Center Expansion (SCE) method to solve the scattering equation for the elastic collision of electrons/positrons off molecular targets. The scattering potential needed is calculated by on-the-fly calls to the external SCELib library for molecular properties, recently ported to GPU computing environment and ClearSpeed platforms, and made available by means of an Application Program Interface (SCELib-API) which is also provided with the V...

Title of program: VOLSCAT V1.0
Catalogue Id: AEEW_v1_0

Nature of problem
In this set of codes an efficient procedure is implemented to calculate partial cross section for the scattering between an electron/positron and a molecular target as a function of the collision energies.

Versions of this program held in the CPC repository in Mendeley Data
AEEW_v1_0; VOLSCAT V1.0; 10.1016/j.cpc.2009.07.013

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)