Related papers: Deriving the Redfield equation for electronically …
We study the charging process of open quantum batteries mediated by a common dissipative environment in two different scenarios. In the first case, we consider a quantum charger-battery model in the presence of a non-Markovian environment.…
We develop a framework that provides a few-mode master equation description of the interaction between a single quantum emitter and an arbitrary electromagnetic environment. The field quantization requires only the fitting of the spectral…
Contrary to conventional quantum mechanics, which treats measurement as instantaneous, here we explore a model for finite-time measurement. The main two-level system interacts with the measurement apparatus in a Markovian way described by…
Charge fractionalization is a possible emergent excitation in a low-dimensional system of interacting electrons. A known example is that of fractional charges in the fractional quantum Hall effect (FQHE) regime, which is a consequence of…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…
Redfield theory provides a closed kinetic description of a quantum system in weak contact with a very dense reservoir. Landau-Zener theory does the same for a time-dependent driven system in contact with a sparse reservoir. Using a simple…
We develop a systematic field-theoretical approach to open quantum systems based on condensed-matter many-body methods. The time evolution of the reduced density matrix for the open quantum system is determined by a transmission matrix.…
In a previous work we developed a field theoretical approach to open quantum systems using condensed matter methods. In the Born approximation we derived the Redfield equation on the basis of a multi-oscillator bath, a Dyson equation, a…
Many-body quantum systems present a rich phenomenology which can be significantly altered when they are in contact with an environment. In order to study such setups, a number of approximations are usually performed, either concerning the…
We discuss possible patterns of electron fractionalization in strongly interacting electron systems. A popular possibility is one in which the charge of the electron has been liberated from its Fermi statistics. Such a fractionalized phase…
In this paper we present a mathematical model for the electrochemical deposition aimed at the production of inverse opals. The real system consists of an arrangement of sub micrometer spheres, through which the species in an electrolytic…
Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of non-interacting particles, is the work horse of the theory. The particular form of…
Simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of…
We present a quaternion-inspired formalism specifically developed to evaluate the electric current that traverses a single molecule subjected to an externally applied voltage. The molecule of interest is covalently connected to two small…
Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…
High fidelity models, which support accurate device characterization and correctly account for environmental effects, are crucial to the engineering of scalable quantum technologies. As it ensures positivity of the density matrix, one…
Strongly interacting electron systems can provide insight into quantum many-body phenomena, such as Mott insulating behavior and spin liquidity, facilitating semiconductor optimization. The Fermi-Hubbard model is the prototypical model used…
We present the Born-Markov approximated Redfield quantum master equation (RQME) description for an open system of non-interacting particles (bosons or fermions) on an arbitrary lattice of $N$ sites in any dimension and weakly connected to…
We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present new results for the equation of state of fluid ethane…