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• W2186341057 startingPage "044004" @default.
• W2186341057 abstract "Based on the integral representation of the semiclassical propagator of Herman and Kluk (HK), and in the limit of high temperatures, we formulate a hybrid expression for the correlation function of infrared spectroscopy. This is achieved by performing a partial linearization inside the integral over the difference of phase space variables that occurs after a twofold application of the HK propagator. A numerical case study for a coupled anharmonic oscillator shows that already for a total number of only two degrees of freedom, one of which is treated in the simplified manner, a substantial reduction of the numerical effort is achieved." @default.
• W2186341057 created "2016-06-24" @default.
• W2186341057 creator A5057417354 @default.
• W2186341057 date "2016-03-22" @default.
• W2186341057 modified "2023-10-16" @default.
• W2186341057 title "A semiclassical hybrid approach to linear response functions for infrared spectroscopy" @default.
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• W2186341057 doi "https://doi.org/10.1088/0031-8949/91/4/044004" @default.
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