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Extreme electron correlation effects on the electric properties of atomic anions
Author(s) -
Canuto Sylvio
Publication year - 1994
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.560520828
Subject(s) - polarizability , hyperpolarizability , dipole , electronic correlation , electron , chemistry , atomic physics , electric field , linear correlation , molecular physics , physics , quantum mechanics , molecule , statistics , mathematics , organic chemistry
The contribution of the electron correlation effects to the calculated dipole polarizability and hyper‐polarizability of the first‐row atomic anions is calculated and analyzed. It is shown that the total correlation contribution to the dipole hyperpolarizability is extremely large with the Hartree–Fock model accounting for only a small fraction of the accurate result. The linear and, more pronounced, the nonlinear response of atomic anions to the application of an electric field emphatically shows the effects of the correlated motion of the electrons. © 1994 John Wiley & Sons, Inc.