Open AccessGAUSSIAN 76: an ab initio molecular orbital program
Author(s) -
J. Stephen Binkley,
Robert A. Whiteside,
P. C. Hariharan,
Rolf Seeger,
Warren J. Hehre,
William A. Lathan,
Marshall D. Newton,
R. Ditchfield,
J. A. Pople
Publication year - 1978
Language(s) - German
Resource type - Reports
DOI - 10.2172/6738000
Subject(s) - ab initio , maxima and minima , gaussian , open shell , wave function , basis (linear algebra) , hartree–fock method , gaussian orbital , molecular orbital , physics , fragment molecular orbital , computational chemistry , atomic physics , mathematics , quantum mechanics , chemistry , geometry , mathematical analysis , molecule