In this thesis, the recent semiclassical approach to quantum Brownian motion of Coffey et\nal. [Phys. Chem. Chem. Phys. 9, 3361 (2007)] is studied in detail. This approach is based\non a semiclassical extension of Wigner's method of obtaining corrections to the classical\nequilibrium Maxwell-Boltzmann distribution, yielding a master equation for the reduced\nWigner function in quasi-phase space valid in the weak coupling and high temperature\nlimits. In the non-inertial or high damping limit, this master equation reduces to a quantum\nSmoluchowksi equation (QSE), where the drift coefficient remains as in the classical case,\nwhile the diffusion coefficient is altered to include the quantum parameter and derivatives\nof the potential.
In this thesis, the recent semiclassical approach to quantum Brownian motion of Coffey et\nal. [Phys. Chem. Chem. Phys. 9, 3361 (2007)] is studied in detail. This approach is based\non a semiclassical extension of Wigner's method of obtaining corrections to the classical\nequilibrium Maxwell-Boltzmann distribution, yielding a master equation for the reduced\nWigner function in quasi-phase space valid in the weak coupling and high temperature\nlimits. In the non-inertial or high damping limit, this master equation reduces to a quantum\nSmoluchowksi equation (QSE), where the drift coefficient remains as in the classical case,\nwhile the diffusion coefficient is altered to include the quantum parameter and derivatives\nof the potential.
Recent progress in our understanding of quantum effects on the Brownian motion in an external potential is reviewed. This problem is ubiquitous in physics and chemistry, particularly in the context of decay of metastable states, for example, the reversal of the magnetization of a single domain ferromagnetic particle, kinetics of a superconducting tunnelling junction, etc. Emphasis is laid on the establishment of master equations describing the diffusion process in phase space analogous to the classical Fokker-Planck equation. In particular, it is shown how Wigner's [E. P. Wigner, Phys. Rev., 1932, 40, 749] method of obtaining quantum corrections to the classical equilibrium Maxwell-Boltzmann distribution may be extended to the dissipative non-equilibrium dynamics governing the quantum Brownian motion in an external potential V(x), yielding a master equation for the Wigner distribution function W(x,p,t) in phase space (x,p). The explicit form of the master equation so obtained contains quantum correction terms up to o(h(4)) and in the classical limit, h --> 0, reduces to the classical Klein-Kramers equation. For a quantum oscillator, the method yields an evolution equation coinciding in all respects with that of Agarwal [G. S. Agarwal, Phys. Rev. A, 1971, 4, 739]. In the high dissipation limit, the master equation reduces to a semi-classical Smoluchowski equation describing non-inertial quantum diffusion in configuration space. The Wigner function formulation of quantum Brownian motion is further illustrated by finding quantum corrections to the Kramers escape rate, which, in appropriate limits, reduce to those yielded via quantum generalizations of reaction rate theory.
The quantum Brownian motion of a particle in an external potential V(x) is treated using the master equation for the Wigner distribution function W(x, p, t) in phase space (x, p). A heuristic method of determination of diffusion coefficients in the master equation is proposed. The time evolution equation so obtained contains explicit quantum correction terms up to o(4) and in the classical limit, → 0, reduces to the Klein–Kramers equation. For a quantum oscillator, the method yields an evolution equation for W(x, p, t) coinciding with that of Agarwal (1971 Phys. Rev. A 4 739). In the non-inertial regime, by applying the Brinkman expansion of the momentum distribution in Weber functions (Brinkman 1956 Physica 22 29), the corresponding semiclassical Smoluchowski equation is derived.
We analyze the microscopic model of quantum Brownian motion, describing a Brownian particle interacting with a bosonic bath through a coupling which is linear in the creation and annihilation operators of the bath, but may be a nonlinear function of the position of the particle. Physically, this corresponds to a configuration in which damping and diffusion are spatially inhomogeneous. We derive systematically the quantum master equation for the Brownian particle in the Born-Markov approximation and we discuss the appearance of additional terms, for various polynomials forms of the coupling. We discuss the cases of linear and quadratic coupling in great detail and we derive, using Wigner function techniques, the stationary solutions of the master equation for a Brownian particle in a harmonic trapping potential. We predict quite generally Gaussian stationary states, and we compute the aspect ratio and the spread of the distributions. In particular, we find that these solutions may be squeezed (superlocalized) with respect to the position of the Brownian particle. We analyze various restrictions to the validity of our theory posed by non-Markovian effects and by the Heisenberg principle. We further study the dynamical stability of the system, by applying a Gaussian approximation to the time-dependent Wigner function, and we compute the decoherence rates of coherent quantum superpositions in position space. Finally, we propose a possible experimental realization of the physics discussed here, by considering an impurity particle embedded in a degenerate quantum gas.
The quantum Brownian motion of a particle in a periodic potential V ( x )=− V 0 cos( x / x 0 ) is treated using the master equation for the Wigner distribution function W ( x , p , t ) in phase space ( x , p ). Explicit equations for the diffusion coefficients of the master equation for this dissipative quantum system are derived. The dynamic structure factor S ( k , t ) and escape rate Γ are evaluated using matrix continued fractions. The matrix continued fraction calculation for Γ agrees well with the analytical solution of the corresponding quantum Kramers turnover problem.
We generalize the classical theory of Brownian motion so as to reckon with non-Markovian effects on both Klein-Kramers and Smoluchowski equations. For a free particle and a harmonic oscillator, it is shown that such non-Markovian effects account for the differentiability of the Brownian trajectories as well as the breakdown of the energy equipartition of statistical mechanics at short times in some physical situations. This non-Markovian approach is also extended to look at anomalous diffusion. Next, we bring in the dynamical-quantization method for investigating open quantum systems, which does consist in quantizing the classical Brownian motion starting directly from our non-Markovian Klein-Kramers and Smoluchowski equations, without alluding to any model Hamiltonian. Accordingly, quantizing our non-Markovian Klein-Kramers in phase space gives rise to a non-Markovian quantum master equation in configuration space, whereas quantizing our non-Markovian Smoluchowski equation in configuration space leads to a non-Markovian quantum Smoluchowski equation in phase space. In addition, it is worth noticing that non-Markovian quantum Brownian motion takes place in presence of a generic environment (e.g. a non-thermal quantum fluid). As far as the special case of a heat bath comprising of quantum harmonic oscillators is concerned, a non-Markovian Caldeira-Leggett master equation and a thermal quantum Smoluchowski equation are derived and extended to bosonic and fermionic heat baths valid for all temperatures.