Instantaneous normal mode analysis of liquid Na

Wu, Ten-Ming; Tsay, Shiow-Fon
November 1996
Journal of Chemical Physics;11/22/1996, Vol. 105 Issue 20, p9281
Academic Journal
The instantaneous-normal-mode (INM) densities of states for liquid Na in four realistic thermodynamic states are obtained by molecular-dynamics simulation. The exponent functions derived from the INM densities of states are found to fit well with a binomial of frequency for the imaginary-frequency lobe and a three-term polynomial for the real-frequency lobe. Through the study of the size dependence for the participation ratios of INMs, we show that for both the real-frequency and the imaginary-frequency lobes, INMs of low frequencies are extended modes and INMs in the high-frequency end are localized modes. However, each lobe has a broad transition region in frequency from the extended to localized INMs. © 1996 American Institute of Physics.


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