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- W2011011569 abstract "The quantized Hamilton dynamics methodology [O. V. Prezhdo and Y. V. Pereverzev, J. Chem. Phys. 113, 6557 (2000)] is applied to the dynamics of the Morse potential using the SU(2) ladder operators. A number of closed analytic approximations are derived in the Heisenberg representation by performing semiclassical closures and using both exact and approximate correspondence between the ladder and position-momentum variables. In particular, analytic solutions are given for the exact classical dynamics of the Morse potential as well as a second-order semiclassical approximation to the quantum dynamics. The analytic approximations are illustrated with the O–H stretch of water and a Xe–Xe dimer. The results are extended further to coupled Morse oscillators representing a linear triatomic molecule. The reported analytic expressions can be used to accelerate classical molecular dynamics simulations of systems containing Morse interactions and to capture quantum-mechanical effects." @default.
- W2011011569 created "2016-06-24" @default.
- W2011011569 creator A5010616988 @default.
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- W2011011569 date "2009-06-28" @default.
- W2011011569 modified "2023-09-23" @default.
- W2011011569 title "Analytic dynamics of the Morse oscillator derived by semiclassical closures" @default.
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- W2011011569 doi "https://doi.org/10.1063/1.3154143" @default.
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