dorsal/arxiv
View SchemaOptimized random phase approximations for arbitrary reference systems: extremum conditions and thermodynamic consistence
| Authors | G. Pastore, O. Akinlade, F. Matthews, Z. Badirkhan |
|---|---|
| Categories | |
| ArXiv ID | physics/9708003 |
| URL | https://arxiv.org/abs/physics/9708003 |
| DOI | 10.1103/PhysRevE.57.460 |
Abstract
The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the addition of the same correction to two different first order approximations of the homogeneous liquid free energy. Furthermore, we show that it is possible to consistently use the ORPA with arbitrary reference systems described by continuous potentials and that the same approximation is equivalent to a particular extremum condition for the corresponding generating functional. Finally, it is possible to enforce the thermodynamic consistence between the thermal and the virial route to the equation of state by requiring the global extremum condition on the generating functional.
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"abstract": "The optimized random phase approximation (ORPA) for classical liquids is\nre-examined in the framework of the generating functional approach to the\nintegral equations. We show that the two main variants of the approximation\ncorrespond to the addition of the same correction to two different first order\napproximations of the homogeneous liquid free energy. Furthermore, we show that\nit is possible to consistently use the ORPA with arbitrary reference systems\ndescribed by continuous potentials and that the same approximation is\nequivalent to a particular extremum condition for the corresponding generating\nfunctional. Finally, it is possible to enforce the thermodynamic consistence\nbetween the thermal and the virial route to the equation of state by requiring\nthe global extremum condition on the generating functional.",
"arxiv_id": "physics/9708003",
"authors": [
"G. Pastore",
"O. Akinlade",
"F. Matthews",
"Z. Badirkhan"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1103/PhysRevE.57.460",
"title": "Optimized random phase approximations for arbitrary reference systems: extremum conditions and thermodynamic consistence",
"url": "https://arxiv.org/abs/physics/9708003"
},
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