One of the first semi empirical methods in quantum chemistry
Complete Neglect of Differential Overlap (CNDO) is one of the first semi empirical methods in quantum chemistry. It uses the core approximation, in which only the outer valence electrons are explicitly included, and the approximation of zero-differential overlap.
CNDO/2 is the main version of CNDO. The method was first introduced by John Pople and collaborators.[1][2][3][4][5]
- ^ J. Pople and D. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, 1970.
- ^ J. A. Pople, D. P. Santry and G. A. Segal, Journal of Chemical Physics, 43, S129, (1965)
- ^ J. A. Pople and G. A. Segal, Journal of Chemical Physics, 43, S136, (1965)
- ^ J. Pople and G.A. Segal, Journal of Chemical Physics, 44, 3289 (1966)
- ^ D.P. Santry and G.A. Segal, Journal of Chemical Physics, 47, 158 (1967)