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A recursive extension of the hybrid tetrahedron method for Brillouin-zone integration is proposed, allowing iterative tetrahedron refinement and significantly reducing the error from the linear tetrahedron method. The Brillouin-zone…
An efficient surface integral equation-based method is proposed for the analysis of electromagnetic scattering from multilayered media containing complex periodic inclusions. The proposed method defines equivalent currents at the interfaces…
We present a high order numerical method for the solution of the Neumann Green's function in two dimensions. For a general closed planar curve, our computational method resolves both the interior and exterior Green's functions with the…
An efficient method for calculating the electronic structure of systems that need a very fine sampling of the Brillouin zone is presented. The method is based on the variational optimization of a "single" (i.e. common to all points in the…
Recently, a functional integral representation was proposed by Weller (Weller, W.: phys.~stat.~sol.~(b) {\bf 162}, 251 (1990)), in which the fermionic fields strictly satisfy the constraint of no double occupancy at each lattice site. This…
Green's function provides an inherent connection between theoretical analysis and numerical methods for elliptic partial differential equations, and general absence of its closed-form expression necessitates surrogate modeling to guide the…
We introduce a new numerical method to compute resonances induced by localized defects in crystals. This method solves an integral equation in the defect region to compute analytic continuations of resolvents. Such an approach enables one…
We discuss the general form of the transmission spectrum through a molec- ular junction in terms of the Green function of the isolated molecule. By introducing a tight binding method, we are able to translate the Green func- tion properties…
The bidomain equations have been widely used to mathematically model the electrical activity of the cardiac tissue. In this work, we present a potential theory-based Cartesian grid method which is referred as the kernel-free boundary…
We present a novel scheme to the coverage problem, introducing a quantitative way to estimate the interaction between a block and its enviroment.This is achieved by setting a discrete version of Green`s theorem, specially adapted for Model…
We present a new implementation of the k-space interpolation scheme for electronic structure presented by E. L. Shirley, Phys. Rev. B 54, 16464 (1996). The method permits the construction of a compact k-dependent Hamiltonian using a…
The Green function plays an essential role in the Kohn-Korringa-Rostocker (KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for…
In this work we study the Kubo-Martin-Schwinger (KMS) relation in the Yang-Gaudin model of an interacting mobile impurity. We use the integrability of the model to compute the dynamic injection and ejection Green's functions at finite…
When described through a plane-wave basis set, the inclusion of exact nonlocal exchange in hybrid functionals gives rise to a singularity, which slows down the convergence with the density of sampled $k$ points in reciprocal space. In this…
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…
This paper presents a re-formulation of the boundary integral method (BIM) for the Debye-Huckel model of molecular and colloidal electrostatics that removes the mathematical singularities that have been accepted as an intrinsic part of the…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
We obtain the internal degrees of freedom of the skyrmion (spin and isospin) within a manifestly Lorentz covariant quantization framework based on defining Green functions for skyrmions and then, the S-matrix via LSZ reduction. Our method…
We use a lattice Green function approach to study the stationary modes of a linear/nonlinear (Kerr) impurity embedded in a periodic one-dimensional lattice where we replace the standard discrete Laplacian by a fractional one. The energies…
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in…