ZINDO

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ZINDO is a semi-empirical quantum chemistry method used in computational chemistry. It is a development of the INDO method. It stands for Zerner's Intermediate Neglect of Differential Overlap, as it was developed by Michael Zerner and his coworkers in 1970s. [1][2] Unlike INDO which was really restricted to organic molecules and those containing the atoms B to F, ZINDO covers a wide range of the periodic table, even including the rare earth elements. There are two distinct versions of the method:-

  • ZINDO/1 - for calculating ground state properties such as bond lengths and bond angles.
  • ZINDO/S (sometimes just called INDO/S) - for calculating excited states and hence electronic spectra.

The original program from the Zerner group is not widely available but the method is implemented in HyperChem, in part, in Gaussian, and in SCIGRESS

To obtain good results, it is frequently necessary to fit the parameters to a given molecule, thereby making it ideal only in semi-empirical calculations.

References

  1. ↑ J. Ridley, M. Zerner, Theor. Chim. Acta 1973, 32, 111 – 134.
  2. ↑ M. Zerner, Reviews in Computational Chemistry, Volume 2, Eds. K. B. Lipkowitz and D. B. Boyd, VCH, New York, 313, (1991)
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