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Electron affinities of states of Sc and Cu
Author(s) -
Beck Donald R.,
Cai Ziyong,
Aspromallis George
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320744
Subject(s) - affinities , bound state , electron , wave function , electron affinity (data page) , binding affinities , atomic physics , chemistry , metal , work (physics) , relativistic quantum chemistry , physics , quantum mechanics , stereochemistry , molecule , biochemistry , receptor , organic chemistry
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 − : 3 d 9 4 s 4 p 2 5 D and 3 d 8 4 s 4 P 3 7 F 0 , with electron affinities 0.109 and 1.052 eV, respectively.
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