Reversible reference system propagation algorithm

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Reversible reference system propagation algorithm, or 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.

[edit] References

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