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We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…

Materials Science · Physics 2021-08-11 Alberto Guandalini , Alice Ruini , Esa Räsänen , Carlo Andrea Rozzi , Stefano Pittalis

The dynamics of gravitational waves is investigated in full 3+1 dimensional numerical relativity, emphasizing the difficulties that one might encounter in numerical evolutions, particularly those arising from non-linearities and gauge…

General Relativity and Quantum Cosmology · Physics 2011-09-09 Peter Anninos , Joan Masso , Edward Seidel , Wai-Mo Suen , Malcolm Tobias

Large-scale simulations of the wave equation in electromagnetism, seismology, and acoustics, can be solved efficiently by finite difference methods. The accuracy of these numerical solutions usually depends on the minimization of…

Medical Physics · Physics 2021-06-23 Gianmarco Pinton

A weak Galerkin (WG) method is introduced and numerically tested for the Helmholtz equation. This method is flexible by using discontinuous piecewise polynomials and retains the mass conservation property. At the same time, the WG finite…

Numerical Analysis · Mathematics 2016-08-24 Lin Mu , Junping Wang , Xiu Ye , Shan Zhao

A numerical-relativity calculation yields in general a solution of the Einstein equations including also a radiative part, which is in practice computed in a region of finite extent. Since gravitational radiation is properly defined only at…

General Relativity and Quantum Cosmology · Physics 2017-02-08 Nigel T. Bishop , Luciano Rezzolla

In this paper, we study an adaptive finite element method for multiple eigenvalue problems of a class of second order elliptic equations. By using some eigenspace approximation technology and its crucial property which is also presented in…

Numerical Analysis · Mathematics 2013-09-18 Xiaoying Dai , Lianhua He , Aihui Zhou

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…

Condensed Matter · Physics 2009-10-31 J. E. Pask , B. M. Klein , C. Y. Fong , P. A. Sterne

Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…

Computational Physics · Physics 2023-10-25 Yang Kuang , Yedan Shen , Guanghui Hu

We make progress towards a 3D finite-element model for the magnetization of a high temperature superconductor (HTS): We suggest a method that takes into account demagnetisation effects and flux creep, while it neglects the effects…

We introduce new numerical integration operators which compose the mass and stiffness matrices of a modified spectral element method for simulation of elastic wave propagation. While these operators use the same quadrature nodes as does the…

Computational Physics · Physics 2019-02-18 Kei Hasegawa , Nobuaki Fuji , Kensuke Konishi

In many time-harmonic electromagnetic wave problems, the considered geometry exhibits an axial symmetry. In this case, by exploiting a Fourier expansion along the azimuthal direction, fully three-dimensional (3D) calculations can be carried…

Numerical Analysis · Mathematics 2022-11-22 Erik Schnaubelt , Nicolas Marsic , Herbert De Gersem

We investigate the numerical implementation of functionally graded properties in the context of the finite element method. The macroscopic variation of elastic properties inherent to functionally graded materials (FGMs) is introduced at the…

Computational Physics · Physics 2019-01-18 Emilio Martínez-Pañeda

Using the recently developed version of the GW method employing the one-site approximation and self-consistent quasiparticle basis set we calculated the electronic structure of 3d and 4d transition metals at experimental atomic volumes. The…

Strongly Correlated Electrons · Physics 2007-08-16 K. D. Belashchenko , V. P. Antropov , N. E. Zein

The subsequent observing runs of the advanced gravitational-wave detector network will likely provide us with various gravitational-wave observations of binary neutron star systems. For an accurate interpretation of these detections, we…

General Relativity and Quantum Cosmology · Physics 2022-08-17 Maximiliano Ujevic , Alireza Rashti , Henrique Gieg , Wolfgang Tichy , Tim Dietrich

Multiscale finite element methods for 2D/1D problems have been studied in this work to demonstrate their excellent ability to solve real-world problems. These methods are much more efficient than conventional 3D finite element methods and…

Numerical Analysis · Mathematics 2023-04-14 Karl Hollaus , Markus Schöbinger

The increasing sensitivity of current and upcoming gravitational-wave (GW) detectors poses stringent requirements on the accuracy of the GW models used for data analysis. If these requirements are not met, systematic errors could dominate…

General Relativity and Quantum Cosmology · Physics 2025-08-29 Lorenzo Pompili , Alessandra Buonanno , Michael Pürrer

Large-eddy simulation developments and validations are presented for an improved simulation of turbulent internal flows. Numerical methods are proposed according to two competing criteria: numerical qualities (precision and spectral…

Fluid Dynamics · Physics 2008-01-15 Jérôme Boudet , Joëlle Caro , L. Shao , Emmanuel Lévêque

Impact flashes on the moon are caused by high-speed collisions of celestial bodies with the lunar surface. The study of the impacts is critical for exploring the evolutionary history and formation of the Moon, and for quantifying the risk…

Instrumentation and Methods for Astrophysics · Physics 2024-12-05 Da Song , Hong-bo Cai , Shen Wang , Jing Wang

The numerical analysis of elastic wave propagation in unbounded media may be difficult to handle due to spurious waves reflected at the model artificial boundaries. Several sophisticated techniques such as nonreflecting boundary conditions,…

Classical Physics · Physics 2010-09-06 Jean-François Semblat , Ali Gandomzadeh , Luca Lenti

A new modified Galerkin / Finite Element Method is proposed for the numerical solution of the fully nonlinear shallow water wave equations. The new numerical method allows the use of low-order Lagrange finite element spaces, despite the…

Numerical Analysis · Mathematics 2016-09-21 Dimitrios Mitsotakis , Costas Synolakis , Mark Mcguinness