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Statistical analogues for fundamental equation of state derivatives

Authors :
Rolf Lustig
Source :
Molecular Physics. 110:3041-3052
Publication Year :
2012
Publisher :
Informa UK Limited, 2012.

Abstract

A generalized methodology for statistical analogues of derivatives of the fundamental equation of state in the microcanonical and canonical ensembles is suggested. Those analogues include rigorous measuring prescriptions for any thermodynamic property in molecular NVE and NVT simulation. In particular, optimal data sets for exhaustive thermodynamic data correlation become rigorously accessible.

Details

ISSN :
13623028 and 00268976
Volume :
110
Database :
OpenAIRE
Journal :
Molecular Physics
Accession number :
edsair.doi...........88645260388203ebb860da6c0efea6f6
Full Text :
https://doi.org/10.1080/00268976.2012.695032