| Literature DB >> 30243289 |
Andreas Kvist Bacher1, Thomas B Schrøder1, Jeppe C Dyre1.
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.Year: 2018 PMID: 30243289 DOI: 10.1063/1.5043548
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488