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Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy…
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…
A many-body Green's function approach to the microscopic theory of surface-enhanced Raman scattering is presented. Interaction effects between a general molecular system and a spatially anisotropic metal particle supporting plasmon…
We apply to the nucleon-nucleus inelastic process a fully coherent microscopic multiple scattering approach. Our study addresses the complexities inherent in characterizing inelastic scattering events, offering a comprehensive theoretical…
We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…
The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important…
We provide an analytical formulation to model the propagation of elastic waves in a homogeneous half-space supporting an array of thin plates. The technique provides the displacement field obtained from the interaction between an incident…
Within the class of Derezi{\'n}ski-Enss pair-potentials which includes Coulomb potentials and for which asymptotic completeness is known \cite{De}, we show that all entries of the $N$-body quantum scattering matrix have a well-defined…
We introduce new and robust decompositions of mean-field Hartree-Fock (HF) and Kohn-Sham density functional theory (KS-DFT) relying on the use of localized molecular orbitals and physically sound charge population protocols. The new…
Many low energy hadrons, such as the rho, can be observed as resonances in scattering experiments. A proposal by L\"uscher enables one to determine infinite volume elastic scattering phases from the two-particle energy spectrum measured…
An adaptive finite element method is presented for the elastic scattering of a time-harmonic plane wave by a periodic surface. First, the unbounded physical domain is truncated into a bounded computational domain by introducing the…
There exists a simple relationship between a quantum-mechanical bound-state wave function and that of nearby scattering states, when the scattering energy is extrapolated to that of the bound state. This relationship is demonstrated…
Periodically time-varying media, known as photonic time crystals (PTCs), provide a promising platform for observing unconventional wave phenomena. We analyze the scattering of electromagnetic waves from spatially finite PTCs using the…
Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research. However, its accuracy is…
We study an effective field theory of interacting nucleons at distances much greater than the pion's Compton wavelength. In this regime the NN potential is conjectured to be the sum of a delta function and its derivatives. The question we…
The problem of electromagnetic scattering by cylinders is an old problem that has been studied in many configurations. The present publication provides a theoretical study on a not yet investigated general case: the set of finite metallic…
We complexify a 1-d potential which exhibits bound, reflecting and free states to study various properties of a non-Hermitian system. This potential turns out a PT-symmetric non-Hermitian potential when one of the parameters becomes…
We introduce a new family of integrable theories with $N$ bosons and $N$ freely adjustable mass parameters. These theories restrict in particular limits to the ``generalized supersymmetric'' sine-Gordon models, as well as to the flavor…
We extend previous halo effective field theory analyses of low-energy elastic scattering of $^{3}$He-$^{4}$He, including the $\frac{7}{2}^{-}$ $f$-wave resonance as an explicit degree of freedom. The presence of this resonance necessitates…
We present a formulation of excited state mean-field theory in which the derivatives with respect to the wave function parameters needed for wave function optimization (not to be confused with nuclear derivatives) are expressed analytically…