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We present a family of high order trapezoidal rule-based quadratures for a class of singular integrals, where the integrand has a point singularity. The singular part of the integrand is expanded in a Taylor series involving terms of…
The GW method is a many-body electronic structure technique capable of generating accurate quasiparticle properties for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is not routinely applied to…
We propose a new analytical method to solve for nonexactly soluble Schrodinger equation via expansions through some existing quantum numbers. Successfully, it is applied to the rational non-polynomial oscillator potential. Moreover, a…
A qubit lattice algorithm (QLA) is developed for Maxwell equations in a two-dimensional Cartesian geometry. In particular, the initial value problem of electromagnetic pulse scattering off a localized 2D dielectric object is considered. A…
Convergence properties of Taylor expansions of observables, which are also used in lattice QCD calculations at non-zero chemical potential, are analyzed in an effective N_f = 2+1 flavor Polyakov-quark-meson model. A recently developed…
Continuing our recent work we study polynomial masks of multivariate tight wavelet frames from two additional and complementary points of view: convexity and system theory. We consider such polynomial masks that are derived by means of the…
An important question in the theory of approximate integration is to study the conditions on the nodes $x_{k,n}$ and weights $w_{k,n}$ that allow an estimate of the form $$ \sup_{f\in \mathcal{B}_\gamma}|\sum_k…
We analyze general convergence properties of the Taylor expansion of observables to finite chemical potential in the framework of an effective 2+1 flavor Polyakov-quark-meson model. To compute the required higher order coefficients a novel…
Recently there has been a growing interest in computational methods for quantum scattering equations that avoid the traditional decomposition of wave functions and scattering amplitudes into partial waves.The aim of the present work is to…
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…
We propose an extension of the plane-wave representation for wave fields defined on the real sphere $\mathcal{S}^2$. This representation is well-known in the planar setting but has never been developed for curved surfaces. To achieve this,…
We apply the stationary phase method developed in (Assier, Shanin \& Korolkov, QJMAM, 76(1), 2022) to the problem of wave diffraction by a quarter-plane. The wave field is written as a double Fourier transform of an unknown spectral…
This paper proposes QPALM, a proximal augmented Lagrangian method based on quadratic approximations, for solving nonlinear programming problems with weakly convex objective and constraint functions. The algorithm is constructed by…
Numerical simulations with rigid particles, drops or vesicles constitute some examples that involve 3D objects with spherical topology. When the numerical method is based on boundary integral equations, the error in using a regular…
A novel method is proposed to infer Bayesian predictions of computationally expensive models. The method is based on the construction of quadrature rules, which are well-suited for approximating the weighted integrals occurring in Bayesian…
We obtain an explicit error expansion for the solution of Backward Stochastic Differential Equations (BSDEs) using the cubature on Wiener spaces method. The result is proved under a mild strengthening of the assumptions needed for the…
We prove Fourier restriction estimates by means of the polynomial partitioning method for compact subsets of any sufficiently smooth hyperbolic hypersurface in threedimensional euclidean space. Our approach exploits in a crucial way the…
This paper is dealing with two $L^2$ hypocoercivity methods based on Fourier decomposition and mode-by-mode estimates, with applications to rates of convergence or decay in kinetic equations on the torus and on the whole Euclidean space.…
A recently developed method has been extended to a nonlocal equation arising in steady water wave propagation in two dimensions. We obtain analyic approximation of steady water wave solution in two dimensions with rigorous error bounds for…
We present a fundamental improvement of a high polynomial degree time domain cell method recently introduced by the last three authors. The published work introduced a method featuring block-diagonal system matrices where the block size and…