INDO‐MO Model with s‐p‐d Separation

A newly developed semiempirical method, “the INDO‐MO model with s‐p‐d separation” is introduced. Based on the assumption of the equivalent basis functions in the set for each angular‐momentum quantum number, the average type electronic repulsion integrals of 3d orbitals are suggested. Similar to our former s‐p‐d separation CNDO‐MO formulation, the proportionality factor K 01 for the bonding parameter for each period of the periodic table is proposed for our method of semiempirical calculation.