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We present a purely numerical approach in Cartesian grid, for efficient computation of Hartree-Fock (HF) exchange contribution in the HF and density functional theory models. This takes inspiration from a recently developed algorithm [Liu…

化学物理 · 物理学 2019-04-05 Abhisek Ghosal , Tanmay Mandal , Amlan K. Roy

Trager's Hermite reduction solves the integration problem for algebraic functions via integral bases. A generalization of this algorithm to D-finite functions has so far been limited to the Fuchsian case. In the present paper, we remove…

符号计算 · 计算机科学 2023-02-10 Shaoshi Chen , Lixin Du , Manuel Kauers

We investigate stochastic Volterra equations and their limiting laws. The stochastic Volterra equations we consider are driven by a Hilbert space valued \Levy noise and integration kernels may have non-linear dependence on the current state…

概率论 · 数学 2020-07-22 Fred Espen Benth , Nils Detering , Paul Kruehner

We propose an optimized histogram binning strategy to reconstruct nuclear response functions via the Chebyshev expansion bound-state method. Our approach employs a stochastic regularization of the density of states to define adaptive,…

核理论 · 物理学 2025-10-13 Immo C. Reis , Joanna E. Sobczyk , Sonia Bacca

In this paper, a novel Hermite radial basis function-based differential quadrature method (H-RBF-DQ) is presented. This new method is designed to treat derivative boundary conditions accurately. The developed method is very different from…

计算物理 · 物理学 2019-03-27 Jianming Liu , Xinkai Li

We show that solution to the Hermite-Pad\'{e} type I approximation problem leads in a natural way to a subclass of solutions of the Hirota (discrete Kadomtsev-Petviashvili) system and of its adjoint linear problem. Our result explains the…

可精确求解与可积系统 · 物理学 2023-12-08 Adam Doliwa , Artur Siemaszko

We consider a system of Fokker-Planck-Kolmogorov (FPK) equations, where the dependence of the coefficients is nonlinear and nonlocal in time with respect to the unknowns. We extend the numerical scheme proposed and studied recently by the…

数值分析 · 数学 2018-05-03 Elisabetta Carlini , Francisco J. Silva

Solving high-dimensional partial differential equations necessitates methods free of exponential scaling in the dimension of the problem. This work introduces a tensor network approach for the Kolmogorov backward equation via approximating…

数值分析 · 数学 2024-04-24 Xun Tang , Leah Collis , Lexing Ying

Accurate interpolation of functions and derivatives is crucial in solving partial differential equations (PDEs). The Radial Basis Function (RBF) method has become an extremely popular and robust approach for interpolation on scattered data.…

数值分析 · 数学 2025-05-23 Amirhossein Fashamiha , David Salac

Latent variable models for ordinal data represent a useful tool in different fields of research in which the constructs of interest are not directly observable. In such models, problems related to the integration of the likelihood function…

统计方法学 · 统计学 2012-06-26 Silvia Bianconcini , Silvia Cagnone

We present a hybrid algorithm between an evolution strategy and a quasi Newton method. The design is based on the Hessian Estimation Evolution Strategy, which iteratively estimates the inverse square root of the Hessian matrix of the…

最优化与控制 · 数学 2025-05-19 Tobias Glasmachers

A linear-scaling algorithm is presented for computing the Hartree-Fock (HF) exchange matrix using concentric atomic density fitting. The algorithm utilizes the stronger distance dependence of the three-center electron repulsion integrals…

化学物理 · 物理学 2014-10-21 David S. Hollman , Henry F. Schaefer , Edward F. Valeev

The generalized Lotka-Volterra (gLV) equations, a classic model from theoretical ecology, describe the population dynamics of a set of interacting species. As the number of species in these systems grow in number, their dynamics become…

种群与进化 · 定量生物学 2019-03-13 Eric W. Jones , Jean M. Carlson

Functional lifting methods provide a tool for approximating solutions of difficult non-convex problems by embedding them into a larger space. In this work, we investigate a mathematically rigorous formulation based on embedding into the…

最优化与控制 · 数学 2020-07-07 Thomas Vogt , Roland Haase , Danielle Bednarski , Jan Lellmann

We study the existence of positive solutions for the system of fractional elliptic equations of the type, \begin{equation*} \begin{array}{rl} (-\Delta)^{\frac{1}{2}} u &=\frac{p}{p+q}\lambda f(x)|u|^{p-2}u|v|^q + h_1(u,v)…

偏微分方程分析 · 数学 2015-11-12 Jacques Giacomoni , Pawan Kumar Mishra , Konijeti Sreenadh

We consider the existence of periodic solutions to Hamiltonian Systems with growth conditions involving G-function. We introduce the notion of symplectic G-function and provide relation for the growth of Hamiltonian in terms of certain…

经典分析与常微分方程 · 数学 2018-11-28 Sonia Acinas , Jakub Maksymiuk , Fernando Mazzone

Recently, the class of Runge-Kutta type methods named Fractional HBVMs (FHBVMs) has been introduced for the numerical solution of initial value problems of fractional differential equations, and a corresponding Matlab software has been…

数值分析 · 数学 2025-07-29 Luigi Brugnano , Gianmarco Gurioli , Felice Iavernaro , Mikk Vikerpuur

In a recent article the authors showed that the radiative Transfer equations with multiple frequencies and scattering can be formulated as a nonlinear integral system. In the present article, the formulation is extended to handle reflective…

数值分析 · 数学 2023-06-12 Olivier Pironneau , Pierre-Henri Tournier

In this paper we combine the theory of reproducing kernel Hilbert spaces with the field of collocation methods to solve boundary value problems with special emphasis on reproducing property of kernels. From the reproducing property of…

数值分析 · 数学 2019-03-26 Babak Azarnavid , Mahdi Emamjome , Mohammad Nabati , Saeid Abbasbandy

A second-order face-centred finite volume method (FCFV) is proposed. Contrary to the more popular cell-centred and vertex-centred finite volume (FV) techniques, the proposed method defines the solution on the faces of the mesh (edges in two…

数值分析 · 数学 2019-11-12 Luan M Vieira , Matteo Giacomini , Ruben Sevilla , Antonio Huerta
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