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The correlation energy difference between ch and the carbon atom
Author(s) -
Walker T. E.,
Kelly Hugh P.
Publication year - 2009
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.560060604
Subject(s) - atom (system on chip) , carbon atom , atomic physics , carbon fibers , value (mathematics) , physics , energy (signal processing) , correlation , chemistry , quantum mechanics , materials science , mathematics , statistics , ring (chemistry) , organic chemistry , geometry , composite number , computer science , composite material , embedded system
The many‐body theory of Brueckner and Goldstone is used to calculate the correlation energy difference between CH and the carbon atom. Our result is — 0.047 a.u., obtaineu from a single center expansion and a complete set of states appropriate to the neutral atom. This value is in good agreement with the experimental value of — 0.043 a.u.