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An alternative to Density Functional Theory are wavefunction based electronic structure calculations for solids. In order to perform them the Exponential Wall (EW) problem has to be resolved. It is caused by an exponential increase of the…

Chemical Physics · Physics 2017-06-07 Peter Fulde , Hermann Stoll

The multipole expansion method (MEM) is a spatial discretization technique that is widely used in applications that feature scattering of waves from circular cylinders. Moreover, it also serves as a key component in several other numerical…

Numerical Analysis · Mathematics 2021-06-04 Brian Fitzpatrick , Enzo De Sena , Toon van Waterschoot

Spectroscopies utilizing free electron beams as probes offer detailed information on the reciprocal-space excitations of 2D materials such as graphene and transition metal dichalcogenide monolayers. Yet, despite the attention paid to such…

Materials Science · Physics 2024-02-08 Andrew W. Rossi , Marc R. Bourgeois , Caleb Walton , David J. Masiello

We examine the convergence properties of the 2-nucleon Effective Range Expansion as used in Effective Theories (ET-ERE's) for 3-nucleon calculations. We accomplish this by accounting for the 2-body dynamics with a simple rank-1 separable…

Nuclear Theory · Physics 2009-03-31 J. R. Shepard , J. A. McNeil

Fully numerical mesh solutions of 2D and 3D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of…

Atomic Physics · Physics 2007-05-23 Mikhail V. Ivanov

Maxwell's equations with massive photons and magnetic monopoles are formulated using spacetime algebra. It is demonstrated that a single non-homogeneous multi-vectorial equation describes the theory. Two limiting cases are considered and…

Mathematical Physics · Physics 2009-05-27 Carlo Cafaro , S. A. Ali

This paper is concerned with the inverse scattering problem for the three-dimensional Maxwell's equations in bi-anisotropic periodic structures. The inverse scattering problem aims to determine the shape of bi-anisotropic periodic…

Numerical Analysis · Mathematics 2020-08-25 Dinh-Liem Nguyen , Trung Truong

Nonlinear optics, and particularly second harmonic generation (SHG), is increasingly used in many modern disciplines from material characterization in physical sciences to bio-imaging in medicine and optical signal processing in information…

Strongly Correlated Electrons · Physics 2021-03-17 G. van der Laan , S. W. Lovesey

The standard solution to time-harmonic electromagnetic scattering problems in homogeneous layered media relies on the use of the electric field dyadic Green's function. However, for small values of the governing angular frequency $\omega$,…

Classical Physics · Physics 2015-06-17 Michael O'Neil

We review the recent progress made in the computation of electromagnetic response functions in light and medium-mass nuclei using coupled-cluster theory. We show how a many-body formulation of the Lorentz integral transform method allows to…

Nuclear Theory · Physics 2019-05-20 Johannes Simonis , Sonia Bacca , Gaute Hagen

We develop a theoretical formalism for collectively responding point scatterers where the radiating electromagnetic fields from each emitter are considered in the electric dipole, magnetic dipole, and electric quadrupole approximation. The…

Optics · Physics 2017-07-06 Derek W. Watson , Stewart D. Jenkins , Janne Ruostekoski

The development of high-performance electron sources requires theoretical frameworks that accurately link the microscopic electronic properties of cathode materials to their macroscopic photoemission observables. Here, we present a…

Materials Science · Physics 2026-02-16 Richard Schier , Chen Wang , Jonas Dube , Julius Kühn , Alice Galdi , Thorsten Kamps , Caterina Cocchi

With the help of mathematical technique of irreducible tensors the multipole expansion for the probability amplitude of spontaneous radiation of a quantum system is derived. It is shown that the found series represents the total radiation…

Atomic Physics · Physics 2014-10-09 M. Ya. Agre

We present a method for predicting the linear response deformation of finite and semi-infinite 2D solid structures with circular holes and inclusions by employing the analogies with image charges and induction in electrostatics. Charges in…

Soft Condensed Matter · Physics 2021-05-26 Siddhartha Sarkar , Matjaz Cebron , Miha Brojan , Andrej Kosmrlj

Present day electromagnetic field calculations have limitations that are due to techniques employing edge-based discretization methods. While these vector finite element methods solve the issues of tangential continuity of fields and the…

Computational Physics · Physics 2019-12-11 Dung N. Pham , Sathwik Bharadwaj , L. R. Ram-Mohan

Within the framework of the density matrix method, general formulas obtained that are convenient for describing fast pulsed photoemission that occurs in a time less than or on the order of the times of relaxation processes inside the…

Mesoscale and Nanoscale Physics · Physics 2022-01-12 Yu. G. Peisakhovich , A. A. Shtygashev

A methodology for determining the scattered Electromagnetic (EM) fields present for interconnected regions with common metasurface boundaries is presented. The method uses a Boundary Element Method (BEM) formulation of the frequency domain…

Computational Physics · Physics 2020-01-08 Scott A. Stewart , Sanam Moslemi-Tabrizi , Tom. J. Smy , Shulabh Gupta

In this paper, we present a multiscale framework for solving the Helmholtz equation in heterogeneous media without scale separation and in the high frequency regime where the wavenumber $k$ can be large. The main innovation is that our…

Numerical Analysis · Mathematics 2022-10-21 Yifan Chen , Thomas Y. Hou , Yixuan Wang

Fundamental upper bounds are given for the plasmonic multipole absorption and scattering of a rotationally invariant dielectric sphere embedded in a lossy surrounding medium. A specialized Mie theory is developed for this purpose and when…

Calculations of the photonic band structure, transmission coefficients, and quality factors of various two-dimensional, periodic and aperiodic, dielectric photonic crystals by using the finite element method (FEM) are reported. The…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Imanol Andonegui , Angel J. Garcia-Adeva