Finding diffusive directions in supercooled liquids by partial minimization of the potential energy
作者： J Chowdhary , T Keyes
DOI: 10.1016/S0378-4371(02)01053-1
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摘要: Abstract Imaginary frequency instantaneous normal modes are attractive candidates for the diffusive motions in supercooled liquids. However, two-level systems and roughness of multidimensional potential energy ( U ) landscape lead to Im −ω unrelated diffusion. It is shown that a small number (3 or 4) steps taken while seeking minimum removes such artifacts leads excellent modes. In general time- minimization step-dependent n , t reveals detailed picture dynamics terms landscape.
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