Related papers: Rydberg transition frequencies from the Local Dens…
Previous first-principles calculations of the melting properties of Si, based on the local-density approximation (LDA) for electronic exchange-correlation energy, under-predict the melting temperature by ~ 20%. We present new…
This paper provides an accurate theoretical defect energy database for pure and Bi-containing III-V (III-V:Bi) materials and investigates efficient methods for high-throughput defect calculations based on corrections of results obtained…
Rydberg Matter (RM) theory is previously shown to give good agreement with the unidentified infrared bands (UIR, UIB) that are observed in emission from many objects in space. From stimulated emission studies in RM, a slightly simpler…
An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…
We show that a theoretical description of radial Rydberg wave packets in alkali-metal atoms based solely on hydrogenic wave functions and energies is insufficient to explain data that could be obtained in pump-probe experiments with current…
A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to understand errors in popular approximations for the…
A shortcut-to-adiabatic protocol for the realization of a fast and high-fidelity controlled-phase gate in Rydberg atoms is developed. The adiabatic state transfer, driven in the high-blockade limit, is sped up by compensating nonadiabatic…
We present a comprehensive study of the diverse properties of heteronuclear Rydberg molecules, placing a special emphasis on those composed of the light alkali atoms, Li, Na, and K. Electron-atom scattering phase shifts, which determine the…
Dependence of transition frequencies on the fine structure constant $\alpha=e^2/\hbar c$ is calculated for several many-electron systems which are used or planned to be used in the laboratory search for the time variation of the fine…
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…
We present a method for probing the quantum capacitance associated with the Rydberg transition of surface electrons on liquid helium using radio-frequency (RF) reflectometry. Resonant microwave excitation of the Rydberg transition induces a…
Away from equilibrium, the properties of open quantum systems depend on the details of their environment. A microscopic derivation of a master equation (ME) is therefore crucial. Of particular interest are Lindblad-type equations, not only…
By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems one obtains a new class of density functionals, which by design account for the correlations present in the chosen…
Using the Dirac equation, radiative corrections and finite nuclear size and mass corrections, we calculate the $1s$-$2s$ quantum transition frequency $f_{1s,2s}$ of hydrogen and its uncertainty due to the uncertainties $\delta m_e, \delta…
Highly excited Rydberg states and their interactions play an important role in quantum computing and simulation. These properties can be predicted accurately for alkali atoms with simple Rydberg level structures. However, an extension of…
State-of-the-art numerical simulations of quantum electrodynamical (QED) processes in strong laser fields rely on a semiclassical combination of classical equations of motion and QED rates, which are calculated in the locally constant field…
At intermediate to high densities, electron (de-)excitation collisions are the dominant process for populating or depopulating high Rydberg states. In particular, the accurate knowledge of the energy changing ($n$-changing) collisional…
We derive a quantum master equation for an atom coupled to a heat bath represented by a charged particle many-body environment. In Born-Markov approximation, the influence of the plasma environment on the reduced system is described by the…
The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…
We investigate the long-time limit of quantum localization of the kicked Rydberg atom. The kicked Rydberg atom is shown to possess in addition to the quantum localization time $\tau_L$ a second cross-over time $t_D$ where quantum dynamics…