Premium
Das SCF – MO – P ( LCGO )‐Verfahren und seine Varianten
Author(s) -
Preuss H.
Publication year - 1968
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560020506
Subject(s) - quantum chemical , ab initio , computational chemistry , naphthalene , chemistry , molecule , organic chemistry
A modification of the SCF – MO – LCGO method is proposed in the form of a qualitative ab initio method. Naphthalene is treated as a test case; good agreement between calculated and experiemental results is obtained. The capabilities of the method for quantum‐chemical calculations are discussed.