Classical version of the Bogoliubov inequality

Gert Roepstorff

J. C. Garrison, Jack Wong

V. K. Fedyanin

Benedikt M. Reible, Carsten Hartmann, Luigi Delle Site

We generalise the two-sided Bogoliubov inequality for classical particles from [L. Delle Site et al., J.Stat.Mech.Th.Exp. 083201 (2017)] to systems of quantum particles. As in the classical set-up, the inequality leads to upper and lower bounds for the free energy difference associated with the partitioning of a large system into smaller, independent subsystems. From a thermodynamic modelling point of view, the free energy difference determines the finite size correction needed to consistently treat a small system as a representation of a large system. Applications of the bounds to quantify finite size effects are ubiquitous in physics, chemistry, material science, or biology, to name just a few; in particular it is relevant for molecular dynamics simulations in which a small portion of a system is usually taken as representative of the idealized large system.

Petarpa Boonserm, Matt Visser

Arun Kumar Pati, Mamata Sahoo, Biswajit Pradhan

The universal quantum work relation connects a functional of an arbitrary observable averaged over the forward process to the free-energy difference and another functional averaged over the time-reversed process. Here, we ask the question if the system is driven out of equilibrium by a different Hamiltonian rather than the original one during the forward process and similarly during the reversed process then how accurate is the quantum work relation. We present an inequality that must be satisfied when the system is driven out by such a trial Hamiltonian. This also answers the issue of accuracy of the Jarzynski relation with a trial Hamiltonian. We have shown that the correction term can be expressed as the averages of the difference operator between the accurate and trial Hamiltonians. This leads to a generalized version of the Bogoliubov inequality for the free-energy differences.