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- W2001727084 abstract "A theory for vibration–rotation–large amplitude internal motion interactions is developed using curvilinear coordinates for the vibrational degrees of freedom. An essential feature to the theory is our coordination of two transformations developed previously for the separation of vibration from rotation and vibration from the LAM, in zeroth order. Series expansion in the vibrational coordinates is used to obtain the full vibration–rotation–LAM Hamiltonian. A Van Vleck perturbation approach is used to obtain the effective rotation–LAM Hamiltonian, HeffτR, for the molecule in the nth vibrational state. Reduction of the effective Hamiltonian has been made to (1) the zero angular momentum state of the molecule, (2) the zeroth order rotation–LAM Hamiltonian, and (3) the usual vibration–rotation Hamiltonian when the LAM takes on a small amplitude." @default.
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- W2001727084 date "1986-05-15" @default.
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- W2001727084 title "Curvilinear coordinate formulation for vibration–rotation–large amplitude internal motion interactions. I. The general theory" @default.
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- W2001727084 doi "https://doi.org/10.1063/1.449923" @default.
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