CCL Home Page
Up Directory CCL 100.html
QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section04


100. CNDOTWO: SCF-LCAO-MO with Complete Neglect of Differential Overlap

by P. A. Clark, Mount Holyoke College, South Hadley, Massachusetts 01075, and J. L. Ragle, University of Massachusetts, Amherst, Massachusetts 01002

This program performs calculations of the type described by J. A. Pople and G. A. Segal (see QCPE 91). This program was developed from the Extended Hckel scheme of R. Hoffmann (QCPE 48) and so should be somewhat familiar to users of the latter routine. Facilities are provided for treating first- and second- row atoms, with up to 42 atomic orbitals.

FORTRAN (CDC 3600) Lines of Code: 575 Recommended Citation: P. A. Clark and J. L. Ragle, QCPE 11, 100 (1967).



Computational Chemistry List --- QCPE Main --- About This Site
Modified: Fri Nov 20 02:29:32 2009 GMT
Page accessed 15 times since Tue Dec 23 04:04:58 2025 GMT