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The free energy and other thermodynamic properties of hexagonal-close-packed iron are calculated by direct {\em ab initio} methods over a wide range of pressures and temperatures relevant to the Earth's core. The {\em ab initio}…

凝聚态物理 · 物理学 2007-05-23 D. Alfe` , G. D. Price , M. J. Gillan

The structure and function of biological molecules are strongly influenced by the water and dissolved ions that surround them. This aqueous solution (solvent) exerts significant electrostatic forces in response to the biomolecule's…

数值分析 · 数学 2015-12-29 Matthew G. Knepley , Jaydeep P. Bardhan

We present an adaptive Chebyshev-based Boundary Integral Equation (CBIE) solver for electromagnetic scattering from smooth perfect electric conductor (PEC) objects. The proposed approach eliminates manual parameter tuning by introducing (i)…

数值分析 · 数学 2026-02-04 Davit Aslanyan , Constantine Sideris

A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…

介观与纳米尺度物理 · 物理学 2010-02-24 Milad Khoshnegar , Sina Khorasani , Amirhossein Hosseinnia

The boundary Green's function (bGF) approach has been established as a powerful theoretical technique for computing the transport properties of tunnel-coupled hybrid nanowire devices. Such nanowires may exhibit topologically nontrivial…

介观与纳米尺度物理 · 物理学 2020-03-13 M. Alvarado , A. Iks , A. Zazunov , R. Egger , A. Levy Yeyati

This paper develops a finite-difference analogue of the boundary integral/element method for the numerical solution of two-dimensional exterior scattering from scatterers of arbitrary shapes. The discrete fundamental solution, known as the…

数值分析 · 数学 2025-11-19 Siyuan Wang , Qing Xia

Defects which appear in heterostructure junctions involving topological insulators are sources of gapless modes governing the low energy properties of the systems, as recently elucidated by Teo and Kane [Physical Review B82, 115120 (2010)].…

介观与纳米尺度物理 · 物理学 2015-06-03 Ken Shiozaki , Satoshi Fujimoto

We apply the generalized method of separation of variables (GMSV) to solve boundary value problems for the Laplace operator in three-dimensional domains with disconnected spherical boundaries (i.e., an arbitrary configuration of…

计算物理 · 物理学 2019-11-05 D. S. Grebenkov , Sergey D. Traytak

We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of Many-Body Perturbation Theory; (ii) time-dependent density-functional theory…

其他凝聚态物理 · 物理学 2009-11-13 Francesco Sottile , Marherita Marsili , Valerio Olevano , Lucia Reining

Surface Integral Equation (SIE) methods routinely require the integration of the singular Green's function or its gradient over Basis Functions (BF) and Testing Functions (TF). Many techniques have been described in the literature for the…

计算物理 · 物理学 2019-12-02 Denis Tihon , Christophe Craeye

In this paper, we propose a novel approach to obtaining a reliable and simple mathematical model of a dielectrophoretic force for model-based feedback micromanipulation. Any such model is expected to sufficiently accurately relate the…

计算物理 · 物理学 2017-09-13 Martin Gurtner , Kristian Hengster-Movric , Zdeněk Hurák

The mixed spectral element method (MSEM) is applied to solve the waveguide problem with Bloch periodic boundary condition (BPBC). Based on the BPBC for the original Helmholtz equation and the periodic boundary condition (PBC) for the…

计算物理 · 物理学 2018-03-22 Jie Liu , Wei Jiang , Na Liu , Qing Huo Liu

We calculate the Bose and Dirac field propagators in a four-dimensional Euclidean space under a magnetic external field by using a hybrid version of the Ritus and Schwinger methods. We get both propagators explicitly in the coordinate and…

高能物理 - 理论 · 物理学 2025-08-26 Emerson B. S Corrêa , Michelli S. R. Sarges , José A. Helayël-Neto

In this paper, a fast multipole method (FMM) is proposed to compute long-range interactions of wave sources embedded in 3-D layered media. The layered media Green's function for the Helmholtz equation, which satisfies the transmission…

数值分析 · 数学 2020-01-08 Bo Wang , Wenzhong Zhang , Wei Cai

We introduce a novel particle-in-Fourier (PIF) scheme that extends its applicability to non-periodic boundary conditions. Our method handles free space boundary conditions by replacing the Fourier Laplacian operator in PIF with a mollified…

数值分析 · 数学 2024-09-18 Changxiao Nigel Shen , Antoine Cerfon , Sriramkrishnan Muralikrishnan

The boundary value of the resolvent of a generic periodic tight-binding Hamiltonian with matrix symbols is shown to satisfy a limit absorption principle which is continuous in energy in dimensions $d=3$, and in dimension $d=2$ away from…

数学物理 · 物理学 2025-12-10 Miguel Ballesteros , Gerardo Franco Cordova , Hermann Schulz-Baldes

We present a data-driven approach to mathematically model physical systems whose governing partial differential equations are unknown, by learning their associated Green's function. The subject systems are observed by collecting…

数值分析 · 数学 2023-03-13 Harshwardhan Praveen , Nicolas Boulle , Christopher Earls

A formulation of the boundary integral method for solving partial differential equations has been developed whereby the usual weakly singular integral and the Cauchy principal value integral can be removed analytically. The broad…

计算物理 · 物理学 2019-10-02 E. Klaseboer , Q. Sun , D. Y. C. Chan

Solving the electroencephalography (EEG) forward problem is a fundamental step in a wide range of applications including biomedical imaging techniques based on inverse source localization. State-of-the-art electromagnetic solvers resort to…

计算物理 · 物理学 2020-04-22 Maxime Y. Monin , Lyes Rahmouni , Adrien Merlini , Francesco P. Andriulli

We study the spectrum of the integrable open XXX Heisenberg spin chain subject to non-diagonal boundary magnetic fields. The spectral problem for this model can be formulated in terms of functional equations obtained by separation of…

统计力学 · 物理学 2011-03-07 Holger Frahm , Jan H. Grelik , Alexander Seel , Tobias Wirth