ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The Neglect of Diatomic Differential Overlap approximation is examined in terms of a polynomial expansion in Γ. The expansion is based upon the Legendre or Chebyshev approximation as developed in Part II. Analogous to the theorems of Chandler and Grader, NDDO cannot be justified for one-electron integrals and only partially for the two-electron repulsion integrals. © 1995 John Wiley & Sons, Inc.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560530511
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