Physics:Reversible reference system propagation algorithm
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Reversible reference system propagation algorithm (r-RESPA) is a time stepping algorithm used in molecular dynamics.[1] It evolves the system state over time,
- [math]\displaystyle{ \Gamma(t) = e^{iLt}\Gamma(t=0) \, }[/math]
where the L is the Liouville operator.
References
- ↑ AR Leach. Molecular modelling: principles and applications 1998, p. 363
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