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We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…

Chemical Physics · Physics 2023-11-10 Daniel Graf , Alex J. W. Thom

The paper proposes a general quasi-interpolation scheme for high-dimensional function approximation. To facilitate error analysis, we view our quasi-interpolation as a two-step procedure. In the first step, we approximate a target function…

Numerical Analysis · Mathematics 2024-09-24 Wenwu Gao , Jiecheng Wang , Zhengjie Sun , Gregory E. Fasshauer

We introduce and discuss the method of Linear Delta Expansion for the calculation of effective potentials in superspace, by adopting the improved version of the super-Feynman rules. Calculations are carried out up to two-loops and an…

High Energy Physics - Theory · Physics 2008-11-26 M. C. B. Abdalla , J. A. Helayël-Neto , Daniel L. Nedel , Carlos R. Senise

The use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast…

Numerical Analysis · Mathematics 2017-06-28 Manas Rachh , Andreas Klöckner , Michael O'Neil

We survey functional analytic methods for studying subwavelength resonator systems. In particular, rigorous discrete approximations of Helmholtz scattering problems are derived in an asymptotic subwavelength regime. This is achieved by…

Analysis of PDEs · Mathematics 2024-10-02 Habib Ammari , Bryn Davies , Erik Orvehed Hiltunen

Singular and oscillatory functions feature in numerous applications. The high-accuracy approximation of such functions shall greatly help us develop high-order methods for solving applied mathematics problems. This paper demonstrates that…

Numerical Analysis · Mathematics 2022-05-20 Congpei An , Hao-Ning Wu

The DCA$^+$ algortihm was recently introduced to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA$^+$ algorithm to the…

Strongly Correlated Electrons · Physics 2015-06-18 Peter Staar , Thomas Maier , Thomas Schulthess

In this work, we consider the approximation of Hilbert space-valued meromorphic functions that arise as solution maps of parametric PDEs whose operator is the shift of an operator with normal and compact resolvent, e.g. the Helmholtz…

Numerical Analysis · Mathematics 2020-02-28 Francesca Bonizzoni , Fabio Nobile , Ilaria Perugia , Davide Pradovera

Cubature formulas, asymptotically optimal with respect to accuracy, are derived for calculating multidimensional weakly singular integrals. They are used for developing a universal code for calculating capacitances of conductors of…

Numerical Analysis · Mathematics 2025-10-20 I. Boikov , A. G. Ramm

Using the ideas of supersymmetry and shape invariance we show that the eigenvalues and eigenfunctions of a wide class of noncentral potentials can be obtained in a closed form by the operator method. This generalization considerably extends…

High Energy Physics - Theory · Physics 2009-10-22 Avinash Khare , Rajat K. Bhaduri

Cubature formulas, asymptotically optimal with respect to accuracy, are derived for calculating multidimensional weakly singular integrals. They are used for developing a universal code for calculating capacitances of conductors of…

Numerical Analysis · Mathematics 2007-05-23 I. Boikov , A. G. Ramm

We propose new weak error bounds and expansion in dimension one for optimal quantization-based cubature formula for different classes of functions, such that piecewise affine functions, Lipschitz convex functions or differentiable function…

Probability · Mathematics 2022-02-10 Vincent Lemaire , Thibaut Montes , Gilles Pagès

Discovering the underlying low dimensional structure of high dimensional data has attracted a significant amount of researches recently and has shown to have a wide range of applications. As an effective dimension reduction tool, singular…

Methodology · Statistics 2019-12-09 Chencheng Cai , Rong Chen , Han Xiao

Dense particulate flow simulations using integral equation methods demand accurate evaluation of Stokes layer potentials on arbitrarily close interfaces. In this paper, we generalize techniques for close evaluation of Laplace double-layer…

Numerical Analysis · Mathematics 2014-10-09 Alex H. Barnett , Bowei Wu , Shravan K. Veerapaneni

We give integral formulas to approximate solutions of Dirichlet and Neumann problems for Helmholtz equation at high frequencies. These approximations are valid in the complementary of a union of convex compact obstacles. The first step of…

Analysis of PDEs · Mathematics 2014-02-18 François Cuvelier

In this paper we introduce the concept of super periodic potential (SPP) of arbitrary order $n$, $n \in I^{+}$, in one dimension. General theory of wave propagation through SPP of order $n$ is presented and the reflection and transmission…

Quantum Physics · Physics 2019-08-06 Mohammd Hasan , Bhabani Prasad Mandal

The method of Helsing and co-workers evaluates Laplace and related layer potentials generated by a panel (composite) quadrature on a curve, efficiently and with high-order accuracy for arbitrarily close targets. Since it exploits complex…

Numerical Analysis · Mathematics 2019-10-23 Ludvig af Klinteberg , Alex H. Barnett

In this paper we present and test a full discretization of all elements of the Calder\'on Calculus (layer potentials and integral operators) for the Helmholtz equation in smooth closed curves in the plane. The resulting integral equations…

Numerical Analysis · Mathematics 2013-04-29 V. Dominguez , S. L. Lu , F. -J. Sayas

This paper is devoted to the diffusion approximation for the 1-d Fokker Planck equation with a heavy tail equilibria of the form (1+v^2)^{-\beta/2}, in the range beta\in ]1,5[. We prove that the limit diffusion equation involves a…

Analysis of PDEs · Mathematics 2017-11-09 Gilles Lebeau , Marjolaine Puel

A systematic numerical approach to approximate high dimensional Lindblad equations is described. It is based on a deterministic rank m approximation of the density operator, the rank m being the only parameter to adjust. From a known…

Computational Physics · Physics 2013-03-14 Claude Le Bris , Pierre Rouchon