Other Decompositions
Other choices for the decomposition of the Liouville operator can be worthwhile
Some choices:
- Separation of short- and long-ranged forces
- Separation of fast and slow time-scale motions
Approach involves defining a reference system that is solved more precisely (more frequently)
Difference between real and reference is updated over a longer time scale
RESPA
- (Reversible) REference System Propagator Algorithm
- Uses numerical solution of reference
NAPA
- Numerical Analytical Propagator Algorithm
- Uses a reference that can be solved analytically
Martyna, Tuckerman, Berne