On the density of volume states in the isobaric ensemble
Abstract
The conventional implementation of the isobaric (fluctuating volume) ensemble neglects the density of volume states. Here it is shown that the latter is proportional to the inverse of the volume. It is argued that this expression should always be used, and that it has measurable consequences in simulations of small systems, in simulations that seek an accurate equation of state, and in simulations of the critical, spinodal, and coexistence regions.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- December 1995
- DOI:
- 10.1063/1.469956
- Bibcode:
- 1995JChPh.103.9884A