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,

Γ(t)=eiLtΓ(t=0)

where the L is the Liouville operator.

References

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