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• W2085414882 abstract "A general theory for response properties is presented which is applicable to perturbations affecting the molecular basis set, notably nuclear derivatives. A perturbation-independent Fock space is introduced, and the necessary reorthonormalization of a truncated basis set after a perturbation is explicitly incorporated in the Hamiltonian. Explicit formulas for MCSCF first- and second-order properties are presented, and some computational aspects are briefly discussed. A brief comparison with previous results is given." @default.
• W2085414882 created "2016-06-24" @default.
• W2085414882 creator A5040303956 @default.
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• W2085414882 date "1984-08-01" @default.
• W2085414882 modified "2023-10-15" @default.
• W2085414882 title "A second-quantization approach to the analytical evaluation of response properties for perturbation-dependent basis sets" @default.
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• W2085414882 doi "https://doi.org/10.1002/qua.560260211" @default.
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