Approximate self-consistent field calculations of molecular potential surfaces

Approved for public release, distribution is unlimited === The Approximate Self-Consistent Field Molecular Orbital Theory (ASCFT) with complete neglect of differential overlap (CNDO) has been applied to the calculation of electronic structure for several selected molecules in this text . The theory...

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Bibliographic Details
Main Author: Yun, Chang Sop
Other Authors: Tolles, William M.
Language:en_US
Published: Monterey, California. U.S. Naval Postgraduate School 2012
Online Access:http://hdl.handle.net/10945/11696