Abstract
This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I [A. K. Bacher et al., J. Chem. Phys. 149, 114501 (2018)] with a focus on isomorphs in the low-temperature gas and liquid phases. As expected from the EXP system’s strong virial potential-energy correlations, the reduced-unit structure and dynamics are isomorph invariant to a good approximation. Three methods for generating isomorphs are compared: the small-step method that is exact in the limit of small density changes and two versions of the direct-isomorph-check method that allows for much larger density changes. Results from the latter two approximate methods are compared to those of the small-step method for each of the three isomorphs generated by 230 one percent density changes, covering one decade of density variation. Both approximate methods work well.
Originalsprog | Engelsk |
---|---|
Artikelnummer | 114502 |
Tidsskrift | Journal of Chemical Physics |
Vol/bind | 149 |
Udgave nummer | 11 |
Antal sider | 13 |
ISSN | 0021-9606 |
DOI | |
Status | Udgivet - 18 sep. 2018 |