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
- ↑ J. Pople, D. L. Beveridge and P. A. Dobosh, Journal of Chemical Physics, 47, 2026, (1967)
- ↑ Pople, J. A.; D. Beveridge (1970). Approximate Molecular Orbital Theory. McGraw-Hill.
- ↑ Mudar A. Abdulsattar and Khalil H. Al-Bayati, ‘Corrections and parameterization of semiempirical large unit cell method for covalent semiconductors’, Phys. Rev. B 75, 245201 (2007).
This article is issued from Wikipedia - version of the 5/12/2014. The text is available under the Creative Commons Attribution/Share Alike but additional terms may apply for the media files.