On the application of instantaneous normal mode analysis to long time dynamics of liquids

摘要: While the applicability of instantaneous normal mode (INM) analysis liquids to short time dynamics is in principle obvious, its relevance long not clear. Recent attempts by Keyes and co‐workers apply information obtained from this self‐diffusion supercooled liquid argon critically analyzed. By extending range frequencies studied we show that both imaginary real branches density modes are represented better, for large ω, ln[ρ(ω)]∼ω2/T than ln[ρ(ω)]∼ω4/T2 as advocated [J. Chem. Phys. 101, 5081 (1994)]. However, since relevant frequency two fits almost overlap, numerical results Keyes, showing good agreement with simulation argon, remain valid even though implications dependence barrier height distribution change. We also explore other possibilities extracting INM analysis: (1) The ‘‘z...