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:
General formulas have been derived for molecular integrals arising in the use of the identity derived by Harriman for describing the Fermi-contact interaction in a molecule. Computational aspects are discussed and numerical examples are shown for several sets of the usual Cartesian Gaussian-type orbitals.
Additional Material:
13 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560280304