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Rapid evaluation of two-center two-electron integrals

✍ Scribed by Peter M. W. Gill; Andrew T. B. Gilbert; Terry R. Adams

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 157 KB
Volume: 21
Category: Article
ISSN: 0192-8651
DOI: 10.1002/1096-987x(200012)21:16<1505::aid-jcc7>3.0.co;2-4

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## Abstract For Abstract see ChemInform Abstract in Full Text.

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In a previous article (J. Fernandez Rico, R. Upez and G. Ramirez, J. Comp. Chem., 9, 790 (1988)) we have proposed the calculation of molecular integrals involving STOs by means of some recurrence relations which use two sets (h and H) of overlap integrals (basic matrices). In the present paper, we d