Physics:Reversible reference system propagation algorithm

From HandWiki
Short description: Time-stepping algorithm in molecular dynamics

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

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