Abstract
Computer simulation of vibrational dephasing of liquid CS 2 indicates that the correlation function of frequency fluctuation is not a single exponential, which invalidates the use of Kubo's formula for the vibrational correlation function. The two different time scales for the decay of the frequency fluctuation correlation function allow one to propose a double-exponential model for the memory function of the vibrational correlation function. The model is used to fit vibrational correlation functions obtained from molecular dynamics of CS 2 at 1 bar, 1 kbar and 4 kbar at room temperature. The hindrance of the rotational and translational dynamics under high pressures results in a larger contribution from the slow decay term of the frequency fluctuation correlation functions and memory functions.
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