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With the help of the quantum chemistry methods we have investigated the nature of interlayer interactions between graphene fragments in different stacking arrangements (AA and AB). We found that the AB stacking pattern as the ground state…
In one-dimensional quantum emitter systems, the dynamics of atomic excitations are influenced by the collective coupling between emitters through photon-mediated dipole-dipole interactions. By introducing positional disorders in a portion…
The discovery of high-transition temperature (high-Tc) superconductivity near antiferromagnetism in iron arsenides raised the possibility of an unconventional superconducting mechansim1-8. The observation of clear Fermi surfaces and…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
The electromagnetic properties of low-lying states in $^{70}$Ge were investigated via multi-step Coulomb excitation of a $^{70}$Ge beam impinging on a $^{208}$Pb target at the ATLAS facility of the Argonne National Laboratory. A total of 27…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
We study harmonically trapped one-dimensional atoms subjected to an equal combination of Rashba and Dresselhaus spin-orbit coupling induced by Raman transition. We first examine the wave function and the degeneracy of the single-particle…
It is supported a recent proposal by Maksimov that electron-phonon interaction (EPI) (Gruneisen-Bloch formulae) determines the linearity of temperature dependence of resistivity for both HTSC-cuprates and most of metals at T near above 0.2…
Landau damping of head-tail modes in bunches due to spreads in the tune shift can be a deciding factor for beam stability. We demonstrate that the coherent tune shifts due to reactive impedances can enhance the space-charge induced damping…
In ab-initio electronic structure simulations, fermion-to-qubit mappings represent the initial encoding step of the fermionic problem into qubits. This work introduces a physically-inspired method for constructing mappings that…
We settle a general expression for the Hamiltonian of the electron-phonon deformation potential (DP) interaction in the case of non-polar core-shell cylindrical nanowires (NWs). On the basis of long range phenomenological continuum model…
We report on our theoretical investigations of the electronic states in a DNA molecule. We have used a two-leg charge ladder model where electron-electron interactions and the electron spin have been taken into account. The energy spectra…
We introduce a one-dimensional plaquette orbital model with a topology of a ladder and alternating interactions between $x$ and $z$ pseudospin components along both the ladder legs and on the rungs. We show that it is equivalent to an…
We analyze theoretically the effects of electron-electron and electron-phonon interactions in the dynamics of a system of a few electrons that can be trapped to a localized state and detrapped to an extended band state of a small quantum…
The interference between resonance signal and continuum background can be either constructive or destructive, depending on the relative sign of couplings between the signal and background amplitudes. Different interference schemes lead to…
Anderson localization and non-Hermitian skin effect are two paradigmatic wave localization phenomena, resulting from wave interference and the intrinsic non-Hermitian point gap, respectively. In this study, we unveil a novel localization…
The in-plane optical phonons around 200 meV in few-layer graphene are investigated utilizing infrared absorption spectroscopy. The phonon spectra exhibit unusual asymmetric features characteristic of Fano resonances, which depend critically…
We employ state-of-the-art quantum chemistry methods to study the structure-to-property relationship in polyanilines (PANIs) of different lengths and oxidation states. Specifically, we focus on leucoemeraldine, emeraldine, and…
In graphene moir\'e superlattices, electronic interactions between layers are mostly hidden as band structures get crowded because of folding, making their interpretation cumbersome. Here, the evolution of the electronic band structure as a…
An influence of the electron-phonon interaction on excitation spectrum and damping in a narrow band electron subsystem of cuprates has been investigated. Within the framework of the t-J model an approach to solving a problem of account of…