An attempt toward the generalized Langevin dynamics simulation
An attempt to generalize the Langevin dynamics simulation method is presented based on the generalized Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized Langevin equations, but the integration of the equation of motion of solute is made in t...
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| Datum: | 2008 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2008
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/119006 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | An attempt toward the generalized Langevin dynamics simulation / B. Kim, S.-H. Chong, R. Ishizuka, F. Hirata // Condensed Matter Physics. — 2008. — Т. 11, № 1(53). — С. 179-190. — Бібліогр.: 12 назв. — англ. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | An attempt to generalize the Langevin dynamics simulation method is presented based on the generalized
Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized
Langevin equations, but the integration of the equation of motion of solute is made in the manner similar to
the ordinary molecular dynamics simulation with discretized time steps along a trajectory. A preliminary result
is derived based on an assumption of the uniform solvent density. The result is regarded to be a microscopic
generalization of the phenomenological Langevin theory for the harmonic oscillator immersed in a continuum
solvent developed by Wang and Uhlenbeck. |
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