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We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…

Other Condensed Matter · Physics 2015-05-13 Meta van Faassen

We review the spectral analysis and the time-dependent approach of scattering theory for manifolds with asymptotically cylindrical ends. For the spectral analysis, higher order resolvent estimates are obtained via Mourre theory for both…

Mathematical Physics · Physics 2011-08-26 S. Richard , R. Tiedra de Aldecoa

In this paper, we propose a new nonuniform mesh method to simulate acoustic scattering problems in two dimensional periodic structures with non-periodic incident fields numerically. As existing methods are difficult to extend to higher…

Numerical Analysis · Mathematics 2022-03-14 Tilo Arens , Ruming Zhang

In this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the…

Chemical Physics · Physics 2023-01-18 Francesca Triggiani , Tommaso Morresi , Simone Taioli , Stefano Simonucci

A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…

Chemical Physics · Physics 2007-05-23 Ashot S. Gevorkyan , Gabriel G. Balint-Kurti , Gunnar Nyman

In this paper, we study the time-independent Schr\"odinger equation within the formalism of position dependent effective mass. For a generalized decomposition of the non-central effective potential, the deformed Schr\"odinger equation can…

Quantum Physics · Physics 2016-10-27 M. Chabab , A. El Batoul , H. Hassanabadi , M. Oulne , S. Zare

We propose an approximate solution of the time-dependent Schr\"odinger equation using the method of stationary states combined with a variational matrix method for finding the energies and eigenstates. We illustrate the effectiveness of the…

Quantum Physics · Physics 2009-11-11 Paolo Amore , Alfredo Aranda , Francisco M. Fernandez , Hugh Jones

Absorbing boundary conditions in the form of a complex absorbing potential are routinely introduced in the Schr\"odinger equation to limit the computational domain or to study reactive scattering events using the multi-configurational…

Quantum Physics · Physics 2013-05-29 Simen Kvaal

Full-wave electromagnetic simulations of electrically large arrays of complex antennas and scatterers are challenging, as they consume large amount of memory and require long CPU times. This paper presents a new reduced-order modeling…

Computational Engineering, Finance, and Science · Computer Science 2018-12-05 Utkarsh R. Patel , Piero Triverio , Sean V. Hum

In experimental physics, it is essential to understand electromagnetic (EM) wave scattering across EM spectrum, from radio waves to X-rays, and is pivotal in driving photonics innovations. Recent advancements have uncovered phenomena like…

Optics · Physics 2024-02-23 Deepanshu Trivedi , Arjuna Madanayake , Alex Krasnok

This paper proposes a new method, in the frequency domain, to define absorbing boundary conditions for general two-dimensional problems. The main feature of the method is that it can obtain boundary conditions from the discretized equations…

Classical Physics · Physics 2015-05-14 Denis Duhamel , Tien-Minh Nguyen

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

The purpose of this paper is to establish a geometric scattering result for a conformally invariant nonlinear wave equation on an asymptotically simple spacetime. The scattering operator is obtained via trace operators at null infinities.…

Analysis of PDEs · Mathematics 2019-07-18 Jérémie Joudioux

A theoretical many-body analysis is presented of the electron-electron inelastic lifetimes of Shockley electrons and holes at the (111) surface of Cu. For a description of the decay of Shockley states both below and above the Fermi level,…

Materials Science · Physics 2009-11-11 M. G. Vergniory , J. M. Pitarke , S. Crampin

In this paper, we consider a sorting scheme for potentially spurious scattering resonant pairs in one- and two-dimensional electromagnetic problems and in three-dimensional acoustic problems. The novel sorting scheme is based on a…

Mathematical Physics · Physics 2020-06-23 Juan Carlos Araujo Cabarcas , Christian Engström

We introduce a recipe to estimate the low-energy scattering parameters of a quantum few-body system - scattering length, effective range, and shape parameter - by using only discrete state calculations. We place the system in an artificial…

Nuclear Theory · Physics 2025-08-12 D. V. Fedorov , A. M. Pedersen

We derive expressions for the lossy boundary-scattering contribution to the linewidth of surface electronic states confined with atomic corrals and island resonators. Correcting experimentally measured linewidths for these contributions…

Other Condensed Matter · Physics 2007-05-23 S. Crampin , H. Jensen , J. Kroeger , L. Limot , R. Berndt

Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a…

Strongly Correlated Electrons · Physics 2016-06-22 Paolo E. Trevisanutto , Giovanni Vignale

We describe a method for obtaining the scattering matrix for nuclear or chemical reactions on a finite lattice. Aside from the preparation of the initial and final states as wave packets, the only other operation required is unitary time…

Nuclear Theory · Physics 2026-03-31 Evan Rule , Ionel Stetcu

In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order…

Numerical Analysis · Mathematics 2017-07-20 Sambasiva Rao Chinnamsetty , Michael Griebel , Jan Hamaekers