Time-dependent response theory and nonequilibrium free-energy relations
نویسندگان
چکیده
منابع مشابه
Time-dependent response theory and nonequilibrium free-energy relations.
The mathematics of time-dependent nonlinear response theory frequently leads to results which although formally exact, are not amenable to experimental application or even to use in computer simulations. Here we give a rigorous derivation of a tractable expression for the thermostatted nonlinear response of classical many body systems to time-dependent dissipative fields. The theory also allows...
متن کاملContinuous medium theory for nonequilibrium solvation: I. How to correctly evaluate solvation free energy of nonequilibrium
Considering the influences of electrostatic potential Phi upon the change of solute charge distribution deltarho and rho upon the change deltaPhi at the same time, a more reasonable integral formula of dG = (1/2) integral (V) (rhodeltaPhi + Phideltarho)dV is used to calculate the change of the electrostatic free energy in charging the solute-solvent system to a nonequilibrium state, instead of ...
متن کاملNonequilibrium Green Functions in Time-dependent Current-density-functional Theory∗
We give an overview of the underlying concepts of time-dependent current-densityfunctional theory (TDCDFT). We show how the basic equations of TDCDFT can be elegantly derived using the time contour method of nonequilibrium Green function theory. We further demonstrate how the formalism can be used to derive explicit equations for the exchange-correlation vector potentials and integral kernels f...
متن کاملNear-equilibrium measurements of nonequilibrium free energy.
A central endeavor of thermodynamics is the measurement of free energy changes. Regrettably, although we can measure the free energy of a system in thermodynamic equilibrium, typically all we can say about the free energy of a nonequilibrium ensemble is that it is larger than that of the same system at equilibrium. Herein, we derive a formally exact expression for the probability distribution o...
متن کاملNonequilibrium Equality for Free Energy Differences
Consider a finite classical system in contact with a heat reservoir. A central concept in thermodynamics is that of the work performed on such a system, when some external parameters of the system are made to change with time. (These parameters may represent, for instance, the strength of an external field, or the volume of space within which the system is confined, or, more abstractly, some pa...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review E
سال: 2008
ISSN: 1539-3755,1550-2376
DOI: 10.1103/physreve.78.021119