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A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…
This article solves two major tasks that frequently arise in the theory of electron collisions with a target molecular cation. First, it extends the energy-dependent frame transformation treatment(EDFT), which is needed to map fixed-nuclei…
In [Phys. Rev. Lett. 128, 013001 (2022)] a novel ground state method was proposed. It has been suggested that this $i$-DMFT would be a method within one-particle reduced density matrix functional theory (DMFT), capable of describing…
The predictions of the mode-coupling theory (MCT) for the dynamical arrest scenarios in a partly pinned (PP) fluid system are reported. The corresponding dynamical phase diagram is found to be very similar to that of a related…
We present a novel paradigm for dispersion engineering in coupled transmission lines (CTLs) based on exceptional points of degeneracy (EPDs). We develop a theory for fourth-order EPDs consisting of four Floquet-Bloch eigenmodes coalescing…
Motivated by a recent prediction to engineer the dispersion relation of a waveguide constructed from atomic components [arXiv:2104.08121], we explore the possibility to create directional transport in an open, collective quantum system. The…
Learning a transport model that maps a source distribution to a target distribution is a canonical problem in machine learning, but scientific applications increasingly require models that can generalize to source and target distributions…
Diffractive nonlocal metasurfaces have recently opened a broad range of exciting developments in nanophotonics research and applications, leveraging spatially extended (yet locally patterned) resonant modes to control light with new degrees…
Energy decomposition analysis (EDA) based on absolutely localized molecular orbitals (ALMOs) decomposes the interaction energy between molecules into physically interpretable components like geometry distortion, frozen interactions,…
Dense or glassy active matter, as a result of its remarkable resemblance to passive glass-forming materials, is enjoying increasing scientific interest. To better grasp the subtle effect of active motion on the process of vitrification, a…
While methods based on density-functional perturbation theory have dramatically improved our understanding of electron-phonon contributions to transport in materials, methods for accurately capturing electron-electron scattering relevant to…
In the past few years considerable attention has been given to the design of Multiple-Input Multiple-Output (MIMO) Eigenmode Transmission Systems (EMTS). This paper presents an in-depth analysis of a new MIMO eigenmode transmission…
A method is proposed for studying wave and particle transport in disordered waveguide systems of dimension higher than unity by means of exact one-dimensionalization of the dynamic equations in the mode representation. As a particular case,…
We have developed a scattering matrix approach to coherent transport through an adiabatically driven conductor based on photon-assisted processes. To describe the energy exchange with the pumping fields we expand the Floquet scattering…
A theory of electronic transport through molecular wires is applied to analyze characteristics of a long-range electron transfer (ET) through molecular bridges in macromolecules with complex donor/acceptor subsystems. Assuming a coherent…
We investigate time-dependent electron transfer (ET) in benchmark donor-bridge-acceptor systems. For the small bridge sizes studied, we obtain results far different from the perturbation theory which underlies scattering-based approaches,…
Excited-state charge-transfer complexes (exciplexes) have been actively exploited in organic optoelectronic devices to improve performance; however, diffusion of exciplexes has not been actively studied despite its influence on performance…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
This paper presents a novel approach for computing substructure characteristic modes. This method leverages electromagnetic scattering matrices and spherical wave expansion to directly decompose electromagnetic fields. Unlike conventional…
We present a theoretical study of multi-mode scattering of light by optically random media, using the Mueller-Stokes formalism which permits to encode all the polarization properties of the scattering medium in a real $4 \times 4$ matrix.…