相关论文: First-Principles Theory for Schottky Barrier Physi…

We review some recent results concerning integrable quantum field theories in 1+1 space-time dimensions which contain unstable particles in their spectrum. Recalling first the main features of analytic scattering theories associated to…

In this paper we determine quantitative stability bounds for the Hessian of entropic potentials, \ie, the dual solution to the entropic optimal transport problem. To the authors' knowledge this is the first work addressing this second-order…

Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…

In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the N-particle Schrodinger wavefunction…

We present the first numerical solutions of a kinetic theory description of self-sustained current oscillations in n-doped semiconductor superlattices. The governing equation is a single-miniband Boltzmann-Poisson transport equation with a…

This paper is concerned with the initial-boundary value problem on the full Euler-Poisson system for ions over a half line. We establish the existence of stationary solutions under the Bohm criterion similar to the isentropic case and…

We employ a microscopic method to study how isospin affect the fission potential of $^{240}$Pu. Our approach uses constrained Hartree-Fock theory (CHF) which allows us to separately investigate the isoscalar and isovector properties of the…

In this review we provide a rigorous and self-contained presentation of one-body reduced density-matrix (1RDM) functional theory. We do so for the case of a finite basis set, where density-functional theory (DFT) implicitly becomes a 1RDM…

The concept of the partial osmotic pressure of ions in an electrolyte solution is critically examined. In principle these can be defined by introducing a solvent-permeable wall and measuring the force per unit area which can certainly be…

By considering the changes in the interface charge-carrier densities of a single-carrier device as a function of injection-barrier heights and comparing these to the equilibrium, background charge-carrier density of a device with Ohmic…

The development of thermoelectric devices faces not only the challenge of optimizing the Seebeck coefficient, the electrical and thermal conductivity of the active material, but also further bottlenecks when going from the thermoelectric…

The Schr\"odinger integral-equation approach for calculating the classical first-passage time (C-fpt) probability density is extended to the case of quantum first-passage time (Q-fpt). Using this extension, we have calculated analytically…

Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…

The behavior of electrolyte solutions close to a charged surface is studied theoretically. A modified Poisson-Boltzmann equation which takes into account the volume excluded by the ions in addition to the electrostatic interactions is…

We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the nonperiodic direction by two metallic parallel…

We present a first-principles method for calculating the charging energy of a molecular single-electron transistor operating in the Coulomb blockade regime. The properties of the molecule are modeled using density-functional theory, the…

We introduce a general, variational scheme applied to Kohn-Sham density functional theory that allows for partitioning of the ground-state density matrix into distinct spectral domains, each of which spanned by an independent diagonal…

Boundary charges in gauge theories (like the ADM mass in general relativity) can be understood as integrals of linear conserved n-2 forms of the free theory obtained by linearization around the background. These forms are associated…

Self-consistent calculations of acoustic and polar optical phonon scattering rates in GaAs quantum wire transistor structures were carried out with account of collisional broadening. The influence of the gate bias on the scattering rates…

Lithium is one of the simplest metals, with negative charge carriers and a close reproduction of free electron dispersion. Experimentally, however, Li is one of a handful of elemental solids (along with Cu, Ag, Au etc.) where the sign of…