相关论文: Distorted Waves with Exact Non-Local Exchange: a C…

The Dirichlet problem for the wave equation is a classical example of a problem which is not well-posed. Nevertheless, it has been used to model internal waves oscillating sinusoidally in time, in various situations, standing internal waves…

In many practical applications, signals and environments are time- varying, which makes fixed filters unreliable. Adaptive filtering, on the other hand, updates in real time to suppress noise, track nonstationary signals, and identify…

An extrapolation method in shell model calculations with deformed basis is presented, which uses a scaling property of energy and energy variance for a series of systematically approximated wave functions to the true one. Such approximated…

In this work, we propose a novel selective discontinuity sensor approach for numerical simulations of the compressible Navier-Stokes equations. Since transformation to characteristic space is already a common approach to reduce…

Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy,…

We provide a new canonical approach for studying the quantum mechanical damped harmonic oscillator based on the doubling of degrees of freedom approach. Explicit expressions for Lagrangians of the elementary modes of the problem,…

In this paper, we develop a computational multiscale to solve the parabolic wave approximation with heterogeneous and variable media. Parabolic wave approximation is a technique to approximate the full wave equation. One benefit of the…

We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…

A version of the so-called "convexification" numerical method for a coefficient inverse scattering problem for the 3D Hemholtz equation is developed analytically and tested numerically. Backscattering data are used, which result from a…

Approximate functionals used in practical density functional theory (DFT) deviate from the piecewise linear behavior of the exact functional for fractional charges. This deviation causes excess charge delocalization, which leads to…

The asymptotic behavior of the molecular continuum wave function has been analyzed within a model of non-overlapping atomic potentials. It is been shown that the representation of the wave function far from a molecule as a plane wave and…

Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented by using localized basis sets of reduced size, leaving no…

We present a general numerical approach to construct local Kohn-Sham potentials from orbital-dependent functionals within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method, in which core and valence electrons…

Treatments of plasma waves usually assume homogeneity, but the parallel gradients ubiquitous in plasmas can modify wave propagation and absorption. We derive a quasilocal inhomogeneous correction to the plasma dielectric for arbitrary…

An integral formulation for acoustic radiation in moving flows is presented. It is based on a potential formulation for acoustic radiation on weakly non-uniform subsonic mean flows. This work is motivated by the absence of suitable kernels…

Two approaches to solution of the two-dimensional Helmholtz equation with a "wave number" are proposed. The results can be applied both in numerical areas of physics and in the theory of nonlinear equations. The first approach is based on…

An ab initio, three-dimensional quantum mechanical calculation has been performed for the time-evolution of continuum electrons in the fields of moving charges. Here the essential singularity associated with the diverging phase factor in…

We present a dissipative algorithm for solving nonlinear wave-like equations when the initial data is specified on characteristic surfaces. The dissipative properties built in this algorithm make it particularly useful when studying the…

When a plane electromagnetic wave impinges upon a diffraction grating or other periodic structures, reflected and transmitted waves propagate away from the structure in different radiation channels. A diffraction anomaly occurs when the…

Here the recently proposed time-dependent quantum Monte Carlo method is applied to three dimensional para- and ortho-helium atoms subjected to an external electromagnetic field with amplitude sufficient to cause significant ionization. By…