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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section02


106. INT1: Calculation of Two-Center Exchange Integrals Occurring in Molecular Problems

by F. Bernardi, G. Paiusco, contributed by Paolo Palmieri, Istituto di Chimica Fisica ed Elettrochimica, Università degli Studi, Bologna, Italy

This program calculates integrals of the form (cAcBc'Ac"B) using Ruedenberg's Method.

FORTRAN IV Lines of Code: 675 Recommended Citation: F. Bernardi et al., QCPE 11, 106 (1967).


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