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:
With this work, we begin our treatment of the transition metal electron affinities. A procedure, REDUCE, for reducing the number of parental couplings per configuration present in the first order wave function from as many as 100 to only a few is introduced. Progress toward a comprehensive relativistic-correlation theory is discussed. Several states in Sc- were examined but none were found to be bound. Two new bound states were obtained for Cu-: 3d9 4s 4p2 5D and 3d8 4s 4P3 7F0, with electron affinities 0.109 and 1.052 eV, respectively.
Additional Material:
6 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560320744
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