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Between INDO and CNDO

The INDO (Intermediate Neglect of Differential Overlap) differs from CNDO in the treatment of one-center exchange integrals. The CNDO (Complete Neglect of Differential Overlap) treatment retains only the two-electron integrals (p.p. vv) = The Yj y are [Pg.278]

The one-center exchange integrals that INDO adds to the CNDO scheme can be related to the Slater-Con don parameters F , and used to describe atomic spectra. In particular, for a set of s, p, Py, P2 atomic orbitals, all the one-center integrals are given as  [Pg.278]

Th ere are sim ilar expression s for sym m etry related in tegrals (sslyy), etc. For direct comparison with CNDO, F is computed as in CNDO. The other INDO parameters, and F, are generally obtained [J. I. Slater, Quantum Theory of Atomic Structure, McGraw-Hill Book Company, Vol. 1, New York, I960.] from fits to experimental atomic energy levels, although other sources for these Slater-Con don parameters are available. The parameter file CINDO.ABP contains the values of G and F (columns 9 and 10) in addition to the CNDO parameters. [Pg.279]


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