Reversible reference system propagation algorithm

Reversible reference system propagation algorithm (r-RESPA) is a time stepping algorithm used in molecular dynamics.[1]

It evolves the system state over time,

\Gamma(t) = e^{iLt}\Gamma(t=0) \,

where the L is the Liouville operator.

References

  1. ↑ AR Leach. Molecular modelling: principles and applications 1998, p. 363


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