Related papers: Evaluating First-Principles Electron-Phonon Coupli…
Plasmon-exciton polaritons provide exciting possibilities to control light-matter interactions at the nanoscale by enabling closer investigation of quantum optical effects and facilitating novel technologies based, for instance, on…
Radiative transfer effects need to be taken into account when analysing spectral line observations. When the data are not sufficient for detailed modelling, simpler methods are needed. The escape probability formalism (EPF) is one such…
We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density…
Angle-resolved photoemission spectroscopy (ARPES) reveals ubiquitous quasiparticle ``kinks'' near $\sim$70 meV and $\sim$40 meV across cuprate superconductors, often accompanied by peak--dip--hump (PDH) structures. These features point to…
Background: Direct measurement of the electric dipole moment (EDM) of the neutron lies in the future; measurement of a nuclear EDM may well come first. The deuteron is one nucleus for which exact model calculations are feasible. Purpose: We…
The energy-energy correlation (EEC) in electron-positron annihilation plays a crucial role in precision tests of quantum chromodynamics (QCD) and measurements of the QCD coupling constant. In this paper, we provide a novel analysis for the…
The Poisson-Nernst-Planck (PNP) equations are fundamental for modeling ion transport in electrochemical systems, capturing the intricate interplay of concentration gradients, electric fields, and ion fluxes essential for applications such…
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…
Electrochemical cells serve as a building block for producing and storing electrical energy from chemical reactions. The analysis of ion transport in these systems forms the foundation for understanding more complex electrochemical systems…
A method is developed to consider the particle-phonon coupling (PC) effects in the problem of finding odd-even double mass differences (DMD) of magic nuclei within the approach starting from the free $NN$-potential. Three PC effects are…
We investigate the numerical behavior of the Eliashberg equations for phonon-mediated superconductivity, incorporating normal-state self-energy calculations within the consistent $GW_{0}$ approximation. We account for the full wavenumber…
Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as non-equilibrium states. A quantitative analysis of inelastic scattering in terms of phonon…
Chirality and topology are fundamental and ubiquitous in nature. Symmetry has proven to be a powerful tool for predicting topological phonons. However, to date, topological phonon emergent particles (EMPs) have not been systematically…
We extend and benchmark the recently-developed Effective-Hamiltonian (EFFH) method [PRX Quantum $\bf{4}$, 020307 (2023)] as an approximation to the equilibrium state ("mean-force Gibbs state") of a quantum system at strong coupling to a…
We introduce a mixed density fitting scheme that uses both a Gaussian and a plane-wave fitting basis to accurately evaluate electron repulsion integrals in crystalline systems. We use this scheme to enable efficient all-electron Gaussian…
Phonon calculations based on first principle electronic structure theory, such as the Kohn-Sham density functional theory, have wide applications in physics, chemistry and material science. The computational cost of first principle phonon…
The coupling between a two-level system and its environment leads to decoherence. Within the context of coherent manipulation of electronic or quasiparticle states in nanostructures, it is crucial to understand the sources of decoherence.…
We propose an optimal entanglement concentration protocol (ECP) for nonlocal N-electron systems in a partially entangled pure state, resorting to charge detection and the projection measurement on an additional electron. For each nonlocal…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…