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General subroutines for the calculation of atomic and molecular two-centre integrals

✍ Scribed by J.P. Hansen

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
400 KB
Volume
58
Category
Article
ISSN
0010-4655

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✦ Synopsis

Fourier transform method for calculation of atomic and molecular two-centre integrals is programmed in Fortran, using algebraic manipulation techniques. The subroutines can be directly included in numerical codes and provide efficient and general methods for the calculation of two-centre integrals for any quantum numbers or geometry.

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