Nuclear quantum effects in solids using a colored-noise thermostat.
We present a method, based on a non-Markovian Langevin equation, to include quantum corrections to the classical dynamics of ions in a quasiharmonic system. By properly fitting the correlation function of the noise, one can vary the fluctuations in positions and momenta as a function of the vibratio...
| Κύριοι συγγραφείς: | , , |
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| Μορφή: | Journal article |
| Γλώσσα: | English |
| Έκδοση: |
2009
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