Classical view of relaxation

Günter Käb

In this contribution quantum/classical surface hopping methodology is applied to vibrational energy relaxation of a quantum oscillator in a classical heat bath. The model of a linearly damped (harmonic) oscillator is chosen which can be mapped onto the Brownian motion (Caldeira-Leggett) Hamiltonian. In the simulations Tully's fewest switches surface hopping scheme is adopted with inclusion of dephasing in the adiabatic basis using a simple decoherence algorithm. The results are compared to the predictions of a Redfield-type quantum master equation modeling using the classical heat bath force correlation function as input. Thereby a link is established between both types of quantum/classical approaches. Viewed from the latter perspective, surface hopping with dephasing may be interpreted as "on-the-fly" stochastic realization of a quantum/classical Pauli master equation.

Bernardo Spagnolo, Alexander A. Dubkov, Davide Valenti

Abstract The main aim of this special issue is to report recent advances and new trends in nonequilibrium statistical mechanics of classical and quantum systems, from both theoretical and experimental points of view, within an interdisciplinary context. In particular, the nonlinear relaxation processes in the dynamics of out-of-equilibrium systems and the role of the metastability and environmental noise will be overviewed. Three main areas of nonequilibrium statistical mechanics will be covered: slow relaxation phenomena and dissipative dynamics; long-range interactions and classical systems; quantum systems. New trends such as quantum thermodynamics and novel types of quantum phase transitions occurring in nonequilibrium steady states and topological phase transitions will be also highlighted.

Alfred G. Redfield

V. M. Akulin, N. V. Karlov

Sourour Elloumi

We consider binary quadratic programs (QP) having a quadratic objectivefunction, linear constraints, and binary variables. Many classical solution methods ofthese problems are based on exact reformulation of QP into anequivalent mixed integer linear program. Several linearization methods werestudied in the literature. More recent solution methods alsobuild an exact reformulation but into a problem which objective function isquadratic and convex. A common point of the two approaches is that thecontinuous relaxation of the reformulated problem is a convex optimizationproblem that can be solved in polynomial time. This makes it possible to use a general branch-and-bound framework to solve the reformulated problem and even to rely on the strongness of standard solvers. In this paper, we show that several quadratic convex reformulation methods, as well as classical linearization, can be viewed within a unified framework. This shows the non-surprising result that linearization is a particular quadratic convex reformulation on the one hand. On the other hand, it allows to compare these methods from a theoretical point of view.