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Statistical analogues for fundamental equation of state derivatives
- 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.
- Subjects :
- Canonical ensemble
Statistical ensemble
Partition function (statistical mechanics)
Fundamental thermodynamic relation
Thermodynamic beta
Biophysics
Data correlation
Molecular simulation
Condensed Matter Physics
Microcanonical ensemble
Statistical physics
Physical and Theoretical Chemistry
Molecular Biology
Mathematics
Subjects
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