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The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…

Materials Science · Physics 2007-05-23 Abduxukur Abdurixit , Alexis Baratoff , Giulia Galli

In this paper, we introduce a quasi-Newton method optimized for efficiently solving quasi-linear elliptic equations and systems, with a specific focus on GPU-based computation. By approximating the Jacobian matrix with a combination of…

Numerical Analysis · Mathematics 2025-03-25 Wenrui Hao , Sun Lee , Xiangxiong Zhang

We present a new tunably-accurate Laguerre Petrov-Galerkin spectral method for solving linear multi-term fractional initial value problems with derivative orders at most one and constant coefficients on the half line. Our method results in…

Numerical Analysis · Mathematics 2016-07-29 Anna Lischke , Mohsen Zayernouri , George Em Karniadakis

This paper introduces filtered finite difference methods for numerically solving a dispersive evolution equation with solutions that are highly oscillatory in both space and time. We consider a semiclassically scaled nonlinear Schr\"odinger…

Numerical Analysis · Mathematics 2025-08-20 Yanyan Shi , Christian Lubich

We write new functional renormalization group equations for a scalar nonminimally coupled to gravity. Thanks to the choice of the parametrization and of the gauge fixing they are simpler than older equations and avoid some of the…

High Energy Physics - Theory · Physics 2015-05-20 Roberto Percacci , Gian Paolo Vacca

This paper is concerned with a discrete-time mean-field stochastic linear-quadratic optimal control problem arose from financial application. Through matrix dynamical optimization method, a group of linear feedback controls is investigated.…

Optimization and Control · Mathematics 2017-06-15 Xun Li , Allen H. Tai , Fei Tian

The time-dependent Schr\"odinger equation (TDSE) in real space is fundamental to understanding the dynamics of many-electron quantum systems, with applications ranging from quantum chemistry to condensed matter physics and materials…

Quantum Physics · Physics 2026-03-31 Enze Hou , Yuzhi Liu , Linxuan Zhang , Difa Ye , Lei Wang , Han Wang

We study parametric double phase problems involving superlinear nonlinearities with a growth that need not necessarily be polynomial. Based on truncation and comparison methods the existence of two constant sign solutions is shown provided…

Analysis of PDEs · Mathematics 2019-12-24 Leszek Gasinski , Patrick Winkert

We consider the study of a numerical scheme for an initial- and Dirichlet boundary- value problem for a nonlinear Schr\"odinger equation. We approximate the solution using a, local (non-uniform) two level scheme in time (see C. Besse [6]…

Numerical Analysis · Mathematics 2017-11-02 Mohammad Asadzadeh , Christoffer Standar

We develop an eigenvalue-based approach for the stability assessment and stabilization of linear systems with multiple delays and periodic coefficient matrices. Delays and period are assumed commensurate numbers, such that the Floquet…

Numerical Analysis · Mathematics 2020-11-03 Wim Michiels , Luca Fenzi

We present a new implementation of DMRG-based tailored coupled clusters method (TCCSD), which employs the domain-based local pair natural orbital approach (DLPNO-TCCSD). Compared to the previous LPNO version of the method, the new…

Chemical Physics · Physics 2020-05-08 Jakub Lang , Andrej Antalík , Libor Veis , Jan Brandejs , Jiří Brabec , Örs Legeza , Jiří Pittner

As a phase space language for quantum mechanics, the Wigner function approach bears a close analogy to classical mechanics and has been drawing growing attention, especially in simulating quantum many-body systems. However, deterministic…

Computational Physics · Physics 2016-11-30 Yunfeng Xiong , Zhenzhu Chen , Sihong Shao

We consider the numerical solution of the scattering of time-harmonic plane waves from an infinite periodic array of reflection or transmission obstacles in a homogeneous background medium, in two dimensions. Boundary integral formulations…

Mathematical Physics · Physics 2015-06-12 Adrianna Gillman , Alex Barnett

We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…

Chemical Physics · Physics 2007-05-23 V. A. Mandelshtam , A. Neumaier

We establish a well-posedness and error-estimation framework that solves Hamilton-Jacobi equations by minimizing the least-squares residual of monotone finite-difference discretizations. This approach also applies naturally to second-order…

Numerical Analysis · Mathematics 2026-05-13 Olivier Bokanowski , Carlos Esteve-Yagüe , Richard Tsai

In the present paper we establish the solvability of the Regularity boundary value problem in domains with (flat and Lipschitz) lower dimensional boundaries for operators whose coefficients exhibit small oscillations analogous to the…

Analysis of PDEs · Mathematics 2022-08-02 Zanbing Dai , Joseph Feneuil , Svitlana Mayboroda

We use the optimized trigonometric finite basis method to find energy eigenvalues and eigenfunctions of the time-independent Schrodinger equation with high accuracy. We apply this method to the quartic anharmonic oscillator and the harmonic…

Mathematical Physics · Physics 2013-09-24 P. Pedram , M. Mirzaei , S. S. Gousheh

We construct a linear approximation of the solution to the Surface Quasi-Geostrophic Equation in $\mathbb{R}^2$, and obtain a convergence rate in $L^p$ between the solution and this approximation with respect to time. We also demonstrate…

Analysis of PDEs · Mathematics 2021-11-16 Dáithí Ó hAodha , Tsukasa Iwabuchi

We study how oscillations of a scalar field condensate are damped due to dissipative effects in a thermal medium. Our starting point is a non-linear and non-local condensate equation of motion descending from a 2PI-resummed effective action…

High Energy Physics - Phenomenology · Physics 2022-03-03 Wen-Yuan Ai , Marco Drewes , Dražen Glavan , Jan Hajer

Calculations of the ground state of inhomogeneous many-electron systems involve a solving of the Poisson equation for Coulomb potential and the Schroedinger equation for single-particle orbitals. Due to nonlinearity and complexity this set…

Materials Science · Physics 2009-11-11 A. Ya. Shul'man