Published on 05 December 2019

Subroutines for the evaluation of exchange integrals in the impact parameter formulation of atomic charge transfer collisions

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Noble, C.J.

Description

Title of program: REXMAT Catalogue Id: ACZV_v1_0 Nature of problem The impact parameter description of atomic charge transfer collisions using Slater-type orbitals as basis functions requires the computation of two-centre one-electron exchange integrals. The program REXMAT is designed to perform part of the algebra necessary to obtain these integrals in the form of one-dimensional integrals which may easily be evaluated numerically. Versions of this program held in the CPC repository in Mendeley Data ACZV_v1_0; REXMAT; 10.1016/0010-4655(80)90087-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.8

FAIR Score

65%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Mendeley

Assigned Domain

Subfield

Atomic and Molecular Physics, and Optics

Field

Physics and Astronomy

Domain

Physical Sciences

Confidence Score

47%

Source

Scholar Data Model

Keywords

Physical ChemistryMolecular PhysicsComputational Physics

Normalization Factors

FT

26.92

CTw

1.00

MTw

1.00