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- W2022041841 abstract "It is shown that by reexpanding the interaction potential for a molecule as a product of functions of the internal coordinates, the Hamiltonian matrix may be rapidly and efficiently computed and the rotation–vibration eigenvalues of the molecule may be easily computed for a number of rotational states. The Kratzer oscillator functions are found to be a rapidly converging set for this purpose. The method was tested on the HCN molecule using a potential for which accurate earlier calculations are available for comparison." @default.
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- W2022041841 date "1991-01-15" @default.
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- W2022041841 title "Rotation–vibration energy levels by a Hamiltonian reexpansion technique" @default.
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- W2022041841 doi "https://doi.org/10.1063/1.460027" @default.
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