Related papers: Current density operator in systems with non-parab…
Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…
The molecular density functional theory of fluids provides an exact theory for computing solvation free energies in implicit solvents. One of the reasons it has not received nearly as much attention as quantum density functional theory for…
A time-dependent current-density-functional theory for many-particle systems in interaction with arbitrary external baths is developed. We prove that, given the initial quantum state $|\Psi_0>$ and the particle-bath interaction operator,…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…
We tested in the framework of quantum mechanics the consequences of a noncommutative (NC from now on) coordinates. We restricted ourselves to 3D rotationally invariant NC configuration spaces with dynamics specified by the Hamiltonian H =…
The Heisenberg uncertainty relation, which links the uncertainties of the position and momentum of a particle, has an important footprint on the quantum behavior of a physical system. Analogous to this principle, we propose that…
In the framework of quantum electrodynamics (QED) in external potentials, we introduce a method to compute the time-dependence of the expectation value of the current density for time-dependent homogeneous external electric fields. We apply…
Understanding the behavior of quantum systems subject to magnetic fields is of fundamental importance and underpins quantum technologies. However, modeling these systems is a complex task, because of many-body interactions and because…
Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic materials do not reach the same charge carrier mobility as…
Schr\"odinger equation with given, {\it a priori} known current is formulated. A non-zero current density is maintained in the quantum system via a subsidiary condition imposed by vector, local Lagrange multiplier. Constrained minimization…
How does charge density constrain many-body wavefunctions in nature? The Hohenberg-Kohn theorem for non-relativistic, interacting many-body Schr\"odinger systems is well-known and was proved using \emph{reductio-ad-absurdum}; however, the…
According to theorems of Shnirelman and followers, in the semiclassical limit the quantum wavefunctions of classically ergodic systems tend to the microcanonical density on the energy shell. We here develop a semiclassical theory that…
We perform a frequency-resolved analysis of electron dynamics in solids to obtain microscopic insight into linear and nonlinear optical phenomena. For the analysis, we first compute the electron dynamics under optical electric fields and…
In both research and textbook literature one often finds two ``different'' Kubo formulas for the zero-temperature conductance of a non-interacting Fermi system. They contain a trace of the product of velocity operators and single-particle…
In quantum theory, for a system with macroscopic wavefunction, the charge density and current density are represented by non-commuting operators. It follows that the anomaly $I=\partial_t \rho + \nabla \cdot \mathbf{j}$, being essentially a…
Current-density-functional theory is used to calculate ionization energies of current-carrying atomic states. A perturbative approximation to full current-density-functional theory is implemented for the first time, and found to be…
Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…
Presently, the main methods for describing a non-equilibrium charge-transporting steady state are based on time-evolving it from the initial zero-current situation. An alternative class of theories would give the statistical non-equilibrium…
I argue that scattering theory for massless particles in Minkowski space should be reformulated as a mapping between past and future representations of an algebra of densities on the conformal boundary. These densities are best thought of…
In many experimental situations, a physical system undergoes stochastic evolution which may be described via random maps between two compact spaces. In the current work, we study the applicability of large deviations theory to time-averaged…