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Reversible reference system propagation algorithm

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

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Jun 11, 2026
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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 ) = e i L t Γ ( t = 0 ) {\displaystyle \Gamma (t)=e^{iLt}\Gamma (t=0)\,}

where the L is the Liouville operator.

References

References

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