NDDO

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NDDO stands for neglect of diatomic differential overlap. The formalism 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.

See MNDO, AM1, PM3, and RM1.

[edit] Reference

  • J. Pople and D. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, 1970.
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