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• W2005569291 abstract "We have written a new computer program for diagonalizing the nonrigid bender Hamiltonian, and have based the program entirely on the theory as reviewed by P. Jensen [Comp. Phys. Rep. 1, 1–56 (1983)] and P. Jensen and P. R. Bunker [J. Mol. Spectrosc. 118, 18–39 (1986)]. Using this program we can calculate the rotation-vibration energy levels of a triatomic molecule from the potential energy function. The program is an improvement over an earlier version, particularly in the systematic treatment of all singular terms, and in the allowance made for the dependence of all perturbation energy denominators on the bending quantum number v2 and rotation quantum number K. The new program can be used for symmetric and unsymmetric triatomic molecules. In the present paper we test the program by applying it to the calculation of the rotation-vibration energy levels of C3 from an ab initio potential surface, and of H2O from ab initio and experimental potential surfaces." @default.
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• W2005569291 date "1986-07-01" @default.
• W2005569291 modified "2023-09-30" @default.
• W2005569291 title "Rotation-vibration energy levels of H2O and C3 calculated using the nonrigid bender Hamiltonian" @default.
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• W2005569291 doi "https://doi.org/10.1016/0022-2852(86)90222-5" @default.
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