Role of angular electron pair correlation in stabilizing C2−60
نویسندگان
چکیده
منابع مشابه
Role of Angular Electron Pair Correlation in Stabilizing C 60 2
A pseudo-potential that was successfully employed in an earlier study by the Compton group is used to describe the binding of a single electron to a C60 molecule to form C60 . Then, the interaction of a second electron with the C60 anion is treated in two manners. First, as performed in the earlier Compton study, a mean-field (i.e., Hartree–Fock) approach is used to estimate the C60 -to-C60 2 e...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2005
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.20777