Related papers: Deriving the Redfield equation for electronically …
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
We propose an approach to the study of open quantum systems based on a parametric representation of the principal system. The representation is obtained introducing generalized coherent states for the environment, and is such that the…
The stochastic scenario of relaxation in the complex systems is presented. It is based on a general probabilistic formalism of limit theorems. The nonexponential relaxation is shown to result from the asymptotic self-similar properties in…
The simulation of quantum transport in a realistic, many-particle system is a nontrivial problem with no quantitatively satisfactory solution. While real-time propagation has the potential to overcome the shortcomings of conventional…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
We provide model reduction formulas for open quantum systems consisting of a target component which weakly interacts with a strongly dissipative environment. The time-scale separation between the uncoupled dynamics and the interaction…
In this paper we deal with the macroscopic electromagnetic response of a finite size dispersive dielectric object, in unbounded space, in the framework of quantum electrodynamics using the Heisenberg picture. We apply a Hopfield type scheme…
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…
Scanning near-field optical imaging (SNOM) using local active probes provides in general images of the electric part of the photonic local density of states. However, certain atomic clusters can supply more information by simultaneously…
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…
We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the stochastic Schr\"odinger equation and uses a Hamiltonian from…
Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
We investigate a quantum battery system under both external driving and dissipation. The system consists of a coupled two-level charger and battery immersed in nonequilibrium fermionic reservoirs. By considering the changes in the energy…
It is shown how the exchange interaction, the dipole-dipole interaction, and the Dzyaloshinsky-Moriya interaction between electronic spin-density fluctuations emerge naturally from a field-theoretic framework that couples electrons to the…
The Redfield equation describes the dynamics of a quantum system weakly coupled to one or more reservoirs and is widely used in theory of open quantum system. However, the assumption of weak system-reservoir coupling is often not fully…
We investigate work extraction in open quantum batteries composed of interacting spin chains weakly coupled to engineered environments. Focusing on two- and four-qubit XX models initially prepared in thermal Gibbs states, we analyze how…
The goal of the paper is to derive a revised condition of global equilibrium in complex chemical systems as variational principle in formalism of recently developed discrete thermodynamics (DTD) of chemical equilibria. In classical approach…