INDO

This article is about a method in computational chemistry. For the human INDO gene, see Indoleamine 2,3-dioxygenase.

INDO stands for Intermediate Neglect of Differential Overlap. It is a semi-empirical quantum chemistry method that is a development of the complete neglect of differential overlap (CNDO/2) method introduced by John Pople. Like CNDO/2 it uses zero-differential overlap for the two-electron integrals but not for integrals that are over orbitals centered on the same atom.[1][2]

The method is now rarely used in its original form with some exceptions[3] but it is the basis for several other methods, such as MINDO, ZINDO and SINDO.

See also

References

  1. ^ Pople, J. A.; Beveridge, D. L.; Dobosh, P. A. (1967-09-15). "Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap". The Journal of Chemical Physics. AIP Publishing. 47 (6): 2026–2033. Bibcode:1967JChPh..47.2026P. doi:10.1063/1.1712233. ISSN 0021-9606.
  2. ^ Pople, J. A.; D. Beveridge (1970). Approximate Molecular Orbital Theory. McGraw-Hill.
  3. ^ Abdulsattar, Mudar A.; Al-Bayati, Khalil H. (2007-06-07). "Corrections and parametrization of semiempirical large unit cell method for covalent semiconductors". Physical Review B. American Physical Society (APS). 75 (24): 245201. Bibcode:2007PhRvB..75x5201A. doi:10.1103/physrevb.75.245201. ISSN 1098-0121.