相关论文: Ab-initio calculation of the Gilbert damping param…

We describe microscopic theory for the quantum transport through finite interacting systems connected to noninteracting leads. It can be applied to small systems such as quantum dots, quantum wires, atomic chain, molecule, and so forth. The…

Understanding DC electrical conductivity is crucial for the study of materials. Macroscopic DC conductivity can be calculated from first principles using the Kubo-Greenwood equation. The procedure involves finding the thermodynamic limit of…

The Tomonaga--Luttinger parameter $K_{\rho}$ determines the critical behavior in quasi one-dimensional correlated electron systems, e.g., the exponent $\alpha$ for the density of states near the Fermi energy. We use the numerical…

We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…

The self-consistent quasiparticle random-phase approximation (QRPA) approach is formulated in the canonical single-nucleon basis of the relativistic Hatree-Fock-Bogoliubov (RHFB) theory. This approach is applied to study the isobaric analog…

The Gauge-Including Projector Augmented Wave (GIPAW) method, within the Density Functional Theory (DFT) Generalized Gradient Approximation (GGA) framework, is applied to compute solid state NMR parameters for $^{27}Al$ in the $\alpha$,…

Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for…

We calculate the linear response conductance of electrons in a Luttinger liquid with arbitrary interaction g_2, and subject to a potential barrier of arbitrary strength, as a function of temperature. We first map the Hamiltonian in the…

We formulate a general approach for studying the low-frequency response of an interacting quantum dot connected to leads in the presence of oscillating gate voltages. The energy dissipated is characterized by the charge relaxation…

We present numerical results of a model calculation for the 3He bilayer system, which captures the interplay between fast and slow dynamics of the different layers and incorporates an independent scale for the three body ring exchange. By…

We start from the QED Lagrangian to describe a charged many-particle system coupled to the radiation field. A covariant density matrix approach to kinetic theory of QED plasmas, subjected to a strong external electro-magnetic field has…

In this paper we present for the first time a complete description of the Bohm model of the Dirac particle. This result demonstrates again that the common perception that it is not possible to construct a fully relativistic version of the…

We present a quantum algorithm to prepare the thermal Gibbs state of interacting quantum systems. This algorithm sets a universal upper bound D^alpha on the thermalization time of a quantum system, where D is the system's Hilbert space…

We present a comprehensive study on the low-temperature orthorhombic phase of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ based on the Korringa-Kohn-Rostoker-Green function approach. Using this bandstructure method in combination with the coherent…

The relativistic local density approximation (LDA) for the Coulomb exchange functional in nuclear systems is presented. This approximation is composed of the well-known Slater approximation in the non-relativistic scheme and the corrections…

The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…

The Douglas-Kroll transformed Dirac-Coulomb Hamiltonian is used to describe scalar-relativistic effects in solids. A Hartree-Fock approximation with periodic boundary conditions makes it feasible to use methods originally developed for…

Half-metallicity and low magnetic damping are perpetually sought for in spintronics materials and full Heusler alloys in this respect provide outstanding properties. However, it is challenging to obtain the well-ordered half-metallic phase…

The covariant particle-vibration coupling model within the time blocking approximation is employed to supplement the Relativistic Random Phase Approximation (RRPA) with coupling to collective vibrations. The Bethe-Salpeter equation in the…

A jump-diffusion process along with a particle scheme is devised as an accurate and efficient particle solution to the Boltzmann equation. The proposed process (hereafter Gamma-Boltzmann model) is devised to match the evolution of all…