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Addendum to "Free energies from integral equation theories: enforcing path independence"
1Physikalische Chemie, Technische Universität Darmstadt, Petersenstrasse 20, 64287 Darmstadt, Germany.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|February 21, 2006
Abstract:
The variational formalism developed for the analysis of the path dependence of free energies from integral equation theories [S. M. Kast, Phys. Rev. E 67, 041203 (2003)] is extended in order to allow for the three-dimensional treatment of arbitrarily shaped solutes.
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