Key points are not available for this paper at this time.
The basic approximations of the MNDO (modified neglect of diatomic overlap) method are described including a semiempirical model for the two-center repulsion integrals. Parametric functions for the various terms in the MNDO Fock matrix are then chosen which contain atomic parameters only (no bond parameters). Using a nonlinear least-squares iterative optimization technique, numerical values of the parameters are determined for the elements H, C, N, O. Finally, the main differences between the MNDO and MINDO methods are discussed.
Dewar et al. (Wed,) studied this question.