An approach to the systematic neglect of the small-in-value electron repulsion integrals
which is used in a number of approximate self-consistent field
molecular orbital schemes. It means that all the products of atomic orbitals
are set to zero and the
overlap integral
(where
is the Kronecker delta). The
ZDO approximation greatly simplifies the computation of wavefunctions by eliminating
many of two-electron integrals. At the
ZDO approximation all three- and four-centered integrals vanish.
Source:
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
https://doi.org/10.1351/goldbook.
