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- W1975446862 abstract "General formulae for analytic derivatives with respect to nuclear positions and velocities of an electronic wavefunction satisfying the Hellmann-Feynman theorem and of its expectation values are given. Sum rules fulfilled by the derivatives of the expectation value of an arbitrary electronic operator are discussed." @default.
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- W1975446862 date "1989-07-01" @default.
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- W1975446862 title "Rototranslational sum rules for geometrical derivatives of expectation values" @default.
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- W1975446862 doi "https://doi.org/10.1016/0009-2614(89)87554-2" @default.
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