NDDO

In computational chemistry, NDDO (neglect of diatomic differential overlap) is a formalism that was first introduced by John Pople and it is now the basis of most successful semiempirical methods. While INDO added all one-centre two electron integrals to the CNDO/2 formalism, NDDO adds all two centre integrals for repulsion between a charge distribution on one centre and a charge distribution on another centre. Otherwise the zero-differential overlap approximation is used. In computational chemistry, NDDO (neglect of diatomic differential overlap) is a formalism that was first introduced by John Pople and it is now the basis of most successful semiempirical methods. While INDO added all one-centre two electron integrals to the CNDO/2 formalism, NDDO adds all two centre integrals for repulsion between a charge distribution on one centre and a charge distribution on another centre. Otherwise the zero-differential overlap approximation is used.