相关论文: Analysis of mathematical techniques for the calcul…
Fringing field has to be taken into account in the formulation of electrostatic parallel-plate actuators when the gap separating the electrodes is comparable to the geometrical dimensions of the moving plate. Even in this case, the existing…
An analytical general analysis of the electromagnetic Dyadic Green's Function for two-dimensional sheet (or a very thin film) is presented, with an emphasis on on the case of graphene. A modified steepest descent treatment of the fields…
We present a Green's function technique for studying the nonlinear conductance of a nanocontact system with two electrodes at different chemical potentials. The retarded Green's function for a single-impurity Anderson model with two…
In preparation to the exascale era, an alternative approach to calculate the electrostatic forces in Particle Mesh (PM) methods is proposed. While the traditional techniques are based on the calculation of the electrostatic potential by…
We present a new charge self-consistent scheme combining Density Functional and Dynamical Mean Field Theory, which uses Green's function of multiple scattering-type. In this implementation the many-body effects are incorporated into the…
We describe a method for symplectic tracking of charged particles through static electric and magnetic fields. The method can be applied to cases where the fields have a dependence on longitudinal as well as transverse position, and where…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
We have developed a Green's function formalism to compute the local field distribution near an interface separating two media of different dielectric constants. The Maxwell's equations are converted into a surface integral equation; thus it…
Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of graphene and other fascinating materials afterwards. While most previous work is devoted to the…
In this work we present a numerical method to solve the set of Dyson-like equations arising the context of non-equilibrium Green's functions. The technique is based on the self-consistent solution of the Dyson equations for the interacting…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
Pulsar dynamic spectra exhibit high visibility fringes arising from interference between scattered radio waves. These fringes may be random or highly ordered patterns, depending on the nature of the scattering or refraction. Here we…
In this paper, we present a powerful method (Atomistic Green's Function, AGF) for calculating the effective Hamiltonian of acoustic and elastic wave-scatterers. The ability to calculate the effective Hamiltonian allows for the study of…
We present an efficient and robust semi-analytical formulation to compute the electric potential due to arbitrary-located point electrodes in three-dimensional cylindrically stratified media, where the radial thickness and the medium…
By decoupling the geometric from the dynamical contributions in the scattering processes, we develop a method to compute the scattering matrix of electrons in a one-dimensional coherent conductor connected to two electrodes. In particular,…
In this paper we present a methodology for increasing the accuracy and accelerating the convergence of numerical methods for solution of Maxwell's equations in the frequency domain by taking into account the be-havior of the electromagnetic…
We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…