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Fast routine for the evaluation of two-centre integrals in heavy-particle collisions

✍ Scribed by Alain Dubois

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
745 KB
Volume
64
Category
Article
ISSN
0010-4655

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✦ Synopsis

A fast Fortran routine is proposed to compute accurately exchange matrix elements which arise in heavy-particle collision theory. The one-electron integrals are evaluated for Slater-type orbitals, centred on each of the two cores, and modified by electron translational factors. The subroutine is designed to compute overlap matrix elements and has also the convenient feature to provide, without any further computational efforts, results for many related integrals, e.g. coupling matrix elements.

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