Amplitude of jump motion signatures in classical vibration-jump dynamics

The classical Langevin dynamics of a particle in a periodic potential energy landscape are studied via the intermediate scattering function (ISF). By construction, the particle performs coupled vibrational and activated jump motion with a wide separation of the vibrational period and the mean reside...

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Veröffentlicht in:	The Journal of chemical physics 2018-11, Vol.149 (19), p.194705-194705
Hauptverfasser:	Townsend, Peter S. M., Ellis, John
Format:	Artikel
Sprache:	eng
Schlagworte:	Amplitudes Anharmonicity Approximation Computer simulation Conditional probability Debye-Waller factor Factorization Mathematical analysis Mathematical models Potential energy Qualitative analysis Residential density Scattering functions Separation Unity
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