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Observations and magnetohydrodynamic simulations of solar and stellar atmospheres reveal an intermittent behavior or steep gradients in physical parameters, such as magnetic field, temperature, and bulk velocities. The numerical solution of…
We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and…
The theoretical approach developed here treats uniformly the direct and indirect mechanisms of dissociative recombination (DR) in a diatomic ion. The present theory is based on electron scattering calculations performed at several…
Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
Mass-conserving reaction-diffusion (MCRD) systems are widely used to model phase separation and pattern formation in cell polarity, biomolecular condensates, and ecological systems. Numerical simulations and formal asymptotic analysis…
The HeH$^+$ cation is the simplest molecular prototype of the indirect dissociative recombination (DR) process that proceeds through electron capture into Rydberg states of the corresponding neutral molecule. This Letter develops the first…
This article is devoted to the study of certain models for phase transitions involving nonlocal energies. A first part is concerned with to the asymptotic analysis of a system of fractional elliptic equations of Allen-Cahn type as a…
The paper contains a systematic, model-independent treatment of electric dipole (E1) transitions in heavy quarkonium. Within the effective field theory framework of potential non-relativistic QCD (pNRQCD), we derive the complete set of…
Dissipative phase transitions in quantum systems have been largely studied under the so-called Markovian approximation, where the environments to which the systems are coupled are memoryless. Here, we present a generalization of the…
Using electric dipoles to describe light-matter interactions between two entities is a conventional approximation in physics, chemistry, and material sciences. However, the lack of material structures makes the approximation inadequate when…
We perform a quantum theoretical calculation of transition radiation by neutral particles with spin 1/2 equipped with magnetic moments and/or electric dipole moments. The limit of vanishing masses is treated exactly for arbitrary refraction…
The one-step model of valence-band photoemission and inverse photoemission from single-crystal surfaces is reformulated for generalized (non-local, complex and energy-dependent) potentials. Thereby, it becomes possible to account for…
X-Ray transition energies and isotope shifts in heavy atoms are evaluated. The energy levels with vacancies in the inner shells are calculated within the approximation of the average of nonrelativistic configuration employing the…
Electronic correlated systems are often well described by dynamical mean field theory (DMFT). While DMFT studies have mainly focused hitherto on one-particle properties, valuable information is also enclosed into local two-particle Green's…
We introduce a picture to analyze the density matrix renormalization group (DMRG) numerical method from a quantum information perspective. This leads us to introduce some modifications for problems with periodic boundary conditions in which…
We set up a framework for field theoretical studies of systems out of thermal equilibrium and zoom in on the dissipation of disoriented chiral condensates. Short relaxation times are obtained in the phase transition region, jeopardizing the…
Based on a microscopic approach, we propose a Lagrangian for the combined system of a rotating dielectric nanoparticle above a plane surface in the presence of electromagnetic vacuum fluctuations. In the framework of canonical quantization,…
We present and discuss a general density-matrix description of energy-dissipation and decoherence phenomena in open quantum systems, able to overcome the intrinsic limitations of the conventional Markov approximation. In particular, the…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…