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Analytic properties of the perturbation series of Liouville's equation

✍ Scribed by O. De Pazzis


Publisher
Elsevier Science
Year
1970
Weight
688 KB
Volume
49
Category
Article
ISSN
0031-8914

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Assuming the Born-Oppenheimer approximation for molecular wavefunctions satisfies the Hellmann-Feynman theorem, Rayleigh-Schriidinger perturbation theory is employed to develop an analytic formula for derivatives of expectation values and second-order properties with respect to nuclear coordinates.