相关论文: Accurate evaluation of the interstitial KKR-Green …

A variety of problems in acoustic and electromagnetic scattering require the evaluation of impedance or layered media Green's functions. Given a point source located in an unbounded half-space or an infinitely extended layer, Sommerfeld and…

The possibility of introducing non-perturbative infrared effects leading to a modification of the long distance behavior of gauge theories through a soft breaking of the BRST invariance is investigated. The method reproduces the…

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of $N$ scatterers. Wave-functions are expanded in a spherical-wave basis on…

We consider the problem of numerically integrating functions with hyperplane discontinuities over the entire Euclidean space in many dimensions. We describe a simple process through which the Euclidean space is partitioned into simplices on…

We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…

We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related…

Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy. We present a first-principles method for the calculation of inelastic…

We revisit the volume Green's function integral equation for modelling light scattering with discretization strategies as well as numerical integration recipes borrowed from finite element method. The merits of introducing finite element…

The ground-state hyperfine splitting values of high-Z boronlike ions are calculated. Calculation of the interelectronic-interaction contribution is based on a combination of the 1/Z perturbation theory and the large-scale…

A path-integral approach for the computation of quantum-mechanical propagators and energy Green's functions is presented. Its effectiveness is demonstrated through its application to singular interactions, with particular emphasis on the…

A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…

A second-order accurate kernel-free boundary integral method is presented for Stokes and Navier boundary value problems on three-dimensional irregular domains. It solves equations in the framework of boundary integral equations, whose…

Recently, untrained neural networks (UNNs) have shown satisfactory performances for MR image reconstruction on random sampling trajectories without using additional full-sampled training data. However, the existing UNN-based approach does…

A classical problem in acoustic (and electromagnetic) scattering concerns the evaluation of the Green's function for the Helmholtz equation subject to impedance boundary conditions on a half-space. The two principal approaches used for…

We introduce a performance-optimized method to simulate localization problems on bipartite tight-binding lattices. It combines an exact renormalization group step to reduce the sparseness of the original problem with the recursive Green's…

A common way to evaluate electronic integrals for polyatomic molecules is to use Becke's partitioning scheme [J. Chem. Phys.88, 2547 (1988)] in conjunction with overlapping grids centered at each atomic site. The Becke scheme was designed…

Recent work in the literature has studied rigid Casimir cavities in a weak gravitational field, or in de Sitter spacetime, or yet other spacetime models. The present review paper studies the difficult problem of direct evaluation of scalar…

Self-consistent approaches to superfluid many-fermion systems in 3-dimensions (and subsequent time-dependent approaches) require a large number of diagonalizations of very large dimension hermitian matrices, which results in enormous…

Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent work (Hirshberg et al., PNAS, 116, 21445 (2019)). In this work we extend PIMD techniques to study Green's…

We present a posteriori error analysis in the supremum norm for the symmetric interior penalty discontinuous Galerkin method for the elliptic obstacle problem. We construct discrete barrier functions based on appropriate corrections of the…