화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.1, 307-311, 2000
The third- and fifth-order nonlinear Raman response of liquid CS2 calculated using a finite field nonequilibrium molecular dynamics method
A finite field molecular dynamics (MD) method has been developed to calculate the off-resonant Raman response of liquids. The method has been used to calculate the third- and fifth-order optical responses of CS2. From the third-order response, the intensity of third-order cascading processes has been estimated. The calculated ratio between the fifth-order intensity and the intensity of the third-order cascading processes supports experimental observations, claiming that two-dimensional Raman spectra are dominated by third-order cascading processes.