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The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations and site potentials, and hence provides an efficient way to…

Numerical Analysis · Mathematics 2021-11-16 Xiaoxu Li , Huajie Chen , Xingyu Gao

We present a numerically efficient and accurate Multiple Scattering formalism, which is a generalization of the Multiple Scattering method with a truncated basis set [X. -G. Zhang and W. H. Butler, Phys. Rev. B 46,7433 (1992)]. Compared to…

Quantum Physics · Physics 2016-05-03 Junqing Xu , Keisuke Hatada , Didier Sébilleau , Li Song

We present a rigorous derivation of a real space Full-Potential Multiple-Scattering-Theory (FP-MST), valid both for continuum and bound states, that is free from the drawbacks that up to now have impaired its development, in particular the…

Other Condensed Matter · Physics 2010-02-11 Keisuke Hatada , Kuniko Hayakawa , Maurizio Benfatto , Calogero R. Natoli

The basic mathematical properties of Green's functions used in statistical mechanics as well as the equations defining these functions and the techniques of solving these equations are reviewed. An approach is presented called the…

Statistical Mechanics · Physics 2007-05-23 V. I. Yukalov

Multiple scattering methods are widely used to reduce the computational complexity of acoustic or electromagnetic scattering problems when waves propagate through media containing many identical inclusions. Historically, this numerical…

Numerical Analysis · Mathematics 2024-08-07 Carlos Borges , Leslie Greengard , Michael O'Neil , Manas Rachh

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of $N$ scatterers. Wave-functions are expanded in a spherical-wave basis on…

Materials Science · Physics 2015-06-22 Aftab Alam , Suffian N. Khan , Andrei Smirnov , D. M. Nicholson , Duane D. Johnson

We propose a technique of compensating the spurious reflections implied by the multiple-scattering (MS) method, commonly used for analyzing finite photonic crystal (PC) systems, to obtain exact values of characteristic parameters, such as…

Optics · Physics 2009-11-13 Wojciech Smigaj

We propose a new model to approximate the wave response of waveguides containing an arbitrary number of small inclusions. The theory is developed to consider any one-dimensional waveguide (longitudinal, flexural, shear, torsional waves or a…

Computational Physics · Physics 2024-05-07 Mario Lázaro , Richard Wiltshaw , Richard Vaughan Craster , Luis M. García-Raffi

We study the one-point and two-point Green's functions in a complex random matrix model to sub-leading orders in the large N limit. We take this complex matrix models as a model for the two-state scattering problem, as applied to spin…

Condensed Matter · Physics 2009-10-28 S. Hikami , A. Zee

We introduce a theoretical formalism to describe disorder-induced extrinsic scattering in slow-light photonic crystal waveguides. This work details and extends the optical scattering theory used in a recent \emph{Physical Review Letter} [M.…

Mesoscale and Nanoscale Physics · Physics 2013-05-31 M. Patterson , S. Hughes

The multiple scattering method T-matrix (MSTMM) can be used to solve the electromagnetic response of systems consisting of many compact scatterers, retaining a good level of accuracy while using relatively few degrees of freedom, largely…

Optics · Physics 2021-06-16 Marek Nečada , Päivi Törmä

This work reports the conditions under which weak scattering assumptions can be applied in a beam loaded by multiple resonators supporting both longitudinal and flexural waves. The work derives the equations of motion of a one-dimensional…

Applied Physics · Physics 2024-10-02 Mario Lázaro , Richard Wiltshaw , Richard V. Craster , Vicent Romero-García

An exact time-dependent solution for the wave function $\psi(r,t)$ of a particle moving in the presence of an asymmetric rectangular well/barrier potential varying in one dimension is obtained by applying a novel for this problem approach…

Quantum Physics · Physics 2015-06-30 Victor F. Los , Nicholas V. Los

We present a method to systematically study multi-photon transmission in one dimensional systems comprised of correlated quantum emitters coupled to input and output waveguides. Within the Green's function approach of the scattering matrix…

Quantum Physics · Physics 2017-05-24 Tian Feng See , Changsuk Noh , Dimitris G. Angelakis

We revisit the volume Green's function integral equation for modelling light scattering with discretization strategies as well as numerical integration recipes borrowed from finite element method. The merits of introducing finite element…

Optics · Physics 2019-06-26 Wen Li , Dong Tan , Jing Xu , Shubo Wang , Yuntian Chen

Cluster Perturbation Theory (CPT) is a computationally economic method commonly used to estimate the momentum and energy resolved single-particle Green's function. It has been used extensively in direct comparisons with experiments that…

Strongly Correlated Electrons · Physics 2020-02-20 P. T. Raum , G. Alvarez , Thomas Maier , V. W. Scarola

The problem of substructure characteristic modes is developed using a scattering matrix-based formulation, generalizing subregion characteristic mode decomposition to arbitrary computational tools. It is shown that the modes of the…

Computational Engineering, Finance, and Science · Computer Science 2025-03-13 Mats Gustafsson , Lukas Jelinek , Miloslav Capek , Johan Lundgren , Kurt Schab

The wavefunction for the multiparticle Schr\"odinger equation is a function of many variables and satisfies an antisymmetry condition, so it is natural to approximate it as a sum of Slater determinants. Many current methods do so, but they…

Mathematical Physics · Physics 2009-11-13 Gregory Beylkin , Martin J. Mohlenkamp , Fernando Pérez

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site…

Materials Science · Physics 2016-08-03 Xianglin Liu , Yang Wang , Markus Eisenbach , G. Malcolm Stocks

The scattering theory of electron transport allows for a compact and powerful description in terms of $\check{g}^2 = 1$ Green functions, so-called circuit theory of quantum transport. A scatterer in the theory is characterized by an action,…

Mesoscale and Nanoscale Physics · Physics 2015-09-30 Yuli V. Nazarov
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