A perturbative quantum master equation is derived for a system interacting with its environment, which is more general than the ones derived before. Our master equation takes into account the effect of the energy exchanges between the system and the environment and the conservation of energy in the finite total system. This master equation describes relaxation mechanisms in isolated nanoscopic quantum systems. In its most general form, this equation is non-Markovian and a Markovian version of it rules the long-time relaxation. We show that our equation reduces to the Redfield equation in the limit where the energy of the system does not affect the density of state of its environment. This master equation and the Redfield one are applied to a spin-environment model defined in terms of random matrices and compared with the solutions of the exact von Neumann equation. The comparison proves the necessity to allow energy exchange between the subsystem and the environment in order to correctly describe the relaxation in an isolated nanoscopic total system.
A perturbative quantum master equation is derived for a system interacting with its environment, which is more general than the ones derived before. Our master equation takes into account the effect of the energy exchanges between the system and the environment and the conservation of energy in the finite total system. This master equation describes relaxation mechanisms in isolated nanoscopic quantum systems. In its most general form, this equation is non-Markovian and a Markovian version of it rules the long-time relaxation. We show that our equation reduces to the Redfield equation in the limit where the energy of the system does not affect the density of state of its environment. This master equation and the Redfield one are applied to a spin-environment model defined in terms of random matrices and compared with the solutions of the exact von Neumann equation. The comparison proves the necessity to allow energy exchange between the subsystem and the environment in order to correctly describe the relaxation in an isolated nanoscopic total system.
We derive a new perturbative quantum master equation for the reduced density matrix of a system interacting with an environment (with a dense spectrum of energy levels). The total system energy (system plus environment) is constant and finite. This equation takes into account the finite energy effects of the environment due to the total energy conservation. This equation is more general than the common perturbative equations used for describing a system in interaction with an environment (like the Redfield equation or the Cohen-Tannoudji one) because these last equations can be deduced from it in the limit of an infinitely large environment. We apply numerically this equation to the spin-GORM model. This model represents the interaction of a two-level system with an environment described by random matrices. We compare our equation with the exact von Neumann equation of the total system and show its superiority compared to the Redfield equation (in the Markovian and non-Markovian cases).
A new perturbative quantum master equation is presented for the dissipative dynamics of a subsystem inside a nanosystem with a constant and finite total energy. The degrees of freedom besides those of the subsystem play the role of the environment. Our equation rules the time evolution of the distribution functions of the subsystem populations and coherences over the energy of the environment. Thanks to these distribution functions, we can take into account the effects of the conservation of the total energy. This equation is more general than the standard perturbative equations used for describing a subsystem interacting with an environment (such as the Redfield or Cohen-Tannoudji equations) because these latter equations can be deduced from it in the limit of an infinitely large environment. We numerically apply this equation to the spin-GORM model for the interaction of a two-level subsystem with an environment described by random matrices. We compare our equation with the exact von Neumann equation of the total system and show its superiority compared to the Redfield equation (in the Markovian and non-Markovian cases).
By using projection superoperators, we present a new derivation of the quantum master equation first obtained by the authors in Phys. Rev. E 68, 066112 (2003). We show that this equation describes the dynamics of a subsystem weakly interacting with an environment of finite heat capacity and initially described by a microcanonical distribution. After applying the rotating wave approximation to the equation, we show that the subsystem dynamics preserves the energy of the total system (subsystem plus environment) and tends towards an equilibrium state which corresponds to equipartition inside the energy shell of the total system. For infinite heat capacity environments, this equation reduces to the Redfield master equation for a subsystem interacting with a thermostat. These results should be of particular interest to describe relaxation and decoherence in nanosystems where the environment can have a finite number of degrees of freedom and the equivalence between the microcanonical and the canonical ensembles is thus not always guaranteed.
Data of the numerical solution of the time-dependent Schrödinger equation of a system containing one spin-1/2 particle interacting with a bath of up to 32 spin-1/2 particles is used to construct a Markovian quantum master equation describing the dynamics of the system spin. The procedure of obtaining this quantum master equation, which takes the form of a Bloch equation with time-independent coefficients, accounts for all non-Markovian effects inasmuch the general structure of the quantum master equation allows. Our simulation results show that, with a few rather exotic exceptions, the Bloch-type equation with time-independent coefficients provides a simple and accurate description of the dynamics of a spin-1/2 particle in contact with a thermal bath. A calculation of the coefficients that appear in the Redfield master equation in the Markovian limit shows that this perturbatively derived equation quantitatively differs from the numerically estimated Markovian master equation, the results of which agree very well with the solution of the time-dependent Schrödinger equation.
The theory of open quantum systems represents one of the major developments of quantum mechanics over the last 50 years. Its central object of study is constituted by quantum systems that cannot be regarded as fully isolated, but instead interact with additional degrees of freedom, giving rise to irreversible phenomena such as dissipation and decoherence. The tools provided by this framework are nowadays of paramount importance across many active areas of research, including quantum computation, thermodynamics, metrology and biology. In this thesis, we investigate three main topics within the field. The first contribution concerns the microscopic derivation of the evolution equations, socalled quantum master equations, for open systems which are also subject to external driving fields. Standard techniques developed for time-independent Hamiltonians encounter several difficulties in the time-dependent case, largely restricting their applicability to specific instances, such as periodic or adiabatic drivings. In contrast, a core result of the derivation presented in the thesis is that, when the environment is sufficiently Markovian (essentially, memoryless), the non-adiabatic contributions to the driving field can be neglected in a controlled fashion, yielding an accurate master equation with time-dependent generator, capable of correctly reproducing the open dynamics even for strong drivings. This result is further supported by benchmarks against numerically exact simulations. The second contribution addresses the long-time behavior of general types of (Markovian) quantum master equations, including those of the form introduced above. While this problem has been extensively analyzed in the time-independent setting, virtually no results are known for time-dependent generators. In particular, we establish the foundations of a general theory of relaxation, that is, convergence towards an asymptotic trajectory in the long-time limit, independently of the initial state. The main results include a theorem guaranteeing sufficient conditions for relaxation and the derivation of a rate function governing the convergence to the asymptotic trajectory. The analysis is further extended to a simple non-Markovian case. Moreover, we treat in detail the specific master equation derived in the first part, connecting the aforementioned relaxation property directly to the underlying microscopic dynamics. The third contribution investigates chirality-induced spin selectivity (CISS) effects from the perspective of open quantum systems. Although the majority of theoretical studies aiming to model CISS are based on a coherent description of the spin dynamics, such effects have been observed also for electrons subject to incoherent transport across molecular networks. In this regard, we provide a rigorous ab initio derivation of the microscopic Hamiltonian describing the electronic transport, incorporating electron spin effects and contributions stemming from the nuclear vibrations. Within this result, we critically revise a master equation approach aiming to explain the origin of CISS effects observed in photosynthetic complexes. Taken together, these contributions offer fresh insights and original results on the interplay between driving fields and dissipation, relaxation phenomena, and electronic spin transport in the presence of incoherent dynamics. More broadly, these results provide new theoretical tools with several potential applications in quantum technologies, from modeling of control pulses in noisy environments to quantum reservoir engineering, and contribute to a deeper understanding of the role of quantum effects in biological systems.
We investigate the exact solution, perturbation theory and master equation of open system dynamics based on our serial studies on quantum mechanics in general quantum systems [An Min Wang, quant-ph/0611216 and quant-ph/0611217]. In a system-environment separated representation, a general and explicit solution of open system dynamics is obtained, and it is an exact solution since it includes all order approximations of perturbation. In terms of the cut-off approximation of perturbation and our improved scheme of perturbation theory, the improved form of the perturbed solution of open systems absorbing the partial contributions from the high order even all order approximations is deduced. Moreover, only under the factorizing initial condition, the exact master equation including all order approximations is proposed. Correspondingly, the perturbed master equation and its improved form different from the existed master equation are given. In special, the Redfield master equation is derived out without using Born-Markov approximation. The solution of open system dynamics in the Milburn model is also gained. As examples, Zurek model of two-state open system and its extension with two transverse fields are studied.