Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory |
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| Authors: | David P. Santry Thomas E. Raidy |
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| Affiliation: | (1) Department of Chemistry, McMaster University, L8S 4M1 Hamilton, Ontario, Canada |
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| Abstract: | Second-order SCF perturbation theory is used to solve the TDHF equations of Dalgarno and Victor through the introduction of frequency dependent density matrices. Exploratory calculations are reported for the frequency dependent polarizability and hyper-polarizability of LiH. |
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| Keywords: | Frequency dependent polarizabilities |
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