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- W2007444624 abstract "Further results are given on the application of harmonic normal mode analysis to liquid state dynamics. A new configuration space-normal mode theory is presented for the velocity correlation function. Here, the hopping rate, ωv, of the phase point among the local minima of the potential in configuration space plays a key role. A new relation is given connecting the unstable mode lobe, 〈ρ(ω)〉u, of the averaged density of states to the topology of the potential in configuration space. This relation is used to express the hopping rate in terms of 〈ρ(ω)〉u. With the hopping rate in hand, the velocity correlation function is calculated from the theory in supercooled Lennard-Jones argon at unit density and over the temperature range T=150 K down to T=80 K, where the theory predicts a glass transition. Agreement between theory and computer simulation is excellent. The predicted hopping rates are also in good agreement with the simulation results of Stillinger and Weber." @default.
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- W2007444624 date "1991-05-15" @default.
- W2007444624 modified "2023-09-27" @default.
- W2007444624 title "Normal mode analysis of the velocity correlation function in supercooled liquids" @default.
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- W2007444624 doi "https://doi.org/10.1063/1.460252" @default.
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