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Coupled mode theory (CMT) is a powerful framework for decomposing interactions between electromagnetic waves and scattering bodies into resonances and their couplings with power-carrying channels. It has widespread use in few-resonance,…
In the single-scattering theory of electromagnetic radiation, the {\it fractal regime} is a definite range in the photon momentum-transfer $q$, which is characterized by the scaling-law behavior of the structure factor: $S(q) \propto…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
In the framework of unitary Glauber approximation for particle-atom scattering, we develop the general formalism of the Moliere-Fano multiple scattering theory (M-F theory) on the basis of reconstruction of the generalized optical theorem…
A variational technique to describe the ground and scattering states below the break-up threshold for a three-nucleon system is developed. The method consists in expanding the wave function in terms of correlated Harmonic Hyperspherical…
We construct a time-dependent scattering theory for Schr\"odinger operators on a manifold $M$ with asymptotically conic structure. We use the two-space scattering theory formalism, and a reference operator on a space of the form $R\times…
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately…
Electromagnetic (EM) wave scattering by many parallel infinite cylinders is studied asymptotically as a tends to 0, where a is the radius of the cylinders. It is assumed that the centres of the cylinders are distributed so that their…
We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field…
We employ the method used by Barbashov and collaborators in Quantum Field Theory to derive a path-integral representation of the $T$-matrix in nonrelativistic potential scattering which is free of functional integration over fictitious…
We describe a density-functional method which aims at computing the ground state electron density and the spectral function at the same time. One basic ingredient of our method is the construction of the spectral function from the first…
We combine theories of scattering for linearized water waves and flexural waves in thin plates to characterize and achieve control of water wave scattering using floating plates. This requires manipulating a sixth-order partial differential…
The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of…
This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in…
In this work, we derive the conservative dynamics of non-spinning binaries in the massless scalar-tensor theories using the post-Minkowskian Effective Field Theory (EFT) approach. Our main result is an analytic expression of the scattering…
The standard scattering theory (SST) in non relativistic quantum mechanics (QM) is analyzed. Self-contradictions of SST are deconstructed. A direct way to calculate scattering probability without introduction of a finite volume is…
Million-atom quantum simulations are in principle feasible with Orbital-Free Density Functional Theory (OF-DFT) because the algorithms only require simple functional minimizations with respect to the electron density function. In this…
Reduced-density-matrix-functional theory is applied to open-shell systems. We introduce a spin-restricted formulation by appropriately expressing approximate correlation-energy functionals in terms of spin-dependent occupation numbers and…
A quantum scattering theory is developed for Fock states scattered by two-level systems in the free space. Compared to existing scattering theories that treat incident light semi-classically, the theory fully quantizes the incident light as…
Dense plasmas occur in stars, giant planets and in inertial fusion experiments. Accurate modeling of the electronic structure of these plasmas allows for prediction of material properties that can in turn be used to simulate these…