Triatomic molecular potential energy surfaces (PES) are obtained by using coherent state to take the classical limits of algebraic Hamiltonian. The algebraic Hamiltonian for bent triatomic molecules can be obtained using Lie algebraic method (the expansion coefficients are obtained by fitting spectroscopic data). This PES is applied to H2O molecule, and good results are obtained.
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Zheng, Y., Ding, S. Theoretical study of nonlinear triatomic molecular potential energy surfaces: Lie algebraic method. Sc. China Ser. B-Chem. 43, 247 (2000). https://doi.org/10.1007/BF02969518
- triatomic molecule
- potential energy surface
- highly excited vibrational states
- Lie algebra