Related papers: Rydberg transition frequencies from the Local Dens…
The analysis of shape transitions in Nd isotopes, based on the framework of relativistic energy density functionals and restricted to axially symmetric shapes in Ref. \cite{PRL99}, is extended to the region $Z = 60$, 62, 64 with $N \approx…
In the spirit of recently developed LDA+U and LDA+DMFT methods we implement a combination of density functional theory in its local density approximation (LDA) with a $k$- and $\omega -$dependent self-energy found from diagrammatic…
The response of a one-dimensional fermion system is investigated using Density Functional Theory (DFT) within the Local Density Approximation (LDA), and compared with exact results. It is shown that DFT-LDA reproduces surprisingly well some…
The local-density approximation (LDA), together with the half-occupation (transition state) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite…
In this work, we precisely measure the transition energies between the Rydberg state n$\text{D}_{5/2}$ to the nearby Rydberg states $(\e{n}+2)\text{P}_{3/2}$, $(\e{n}-2)\text{F}_{7/2}$ for the range $41\leq \e{n}\leq46$. This was done by…
Individual neutral atoms excited to Rydberg states are a promising platform for quantum simulation and quantum information processing. However, experimental progress to date has been limited by short coherence times and relatively low gate…
For low-density plasmas, the classical limit described by the Debye-H\"uckel theory is still considered as an appropriate description even though a clear experimental proof of this paradigm is lacking due to the problems in determining the…
Relativistic and unfactorized calculations for the nuclear transparency extracted from exclusive A(e,e'p) reactions for 0.3 \leq Q^2 \leq 10 (GeV/c)^2 are presented for the target nuclei C, Si, Fe and Pb. For Q^2 \geq 0.6 (GeV/c)^2, the…
The adiabatic approximation in time-dependent density functional theory (TDDFT) is known to give an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition…
The frequency-dependent response of a one-dimensional fermion system is investigated using Current Density Functional Theory (CDFT) within the local approximation (LDA). DFT-LDA, and in particular CDFT-LDA, reproduces very well the…
The Rydberg formula along with the Ritz quantum defect ansatz has been a standard theoretical tool used in atomic physics since before the advent of quantum mechanics, yet this approach has remained limited by its non-relativistic…
Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. 23 low-order Fg were measured by QCBED for…
Estimation of Distribution Algorithms (EDAs) are one branch of Evolutionary Algorithms (EAs) in the broad sense that they evolve a probabilistic model instead of a population. Many existing algorithms fall into this category. Analogous to…
The phase behavior and kinetic pathways of Li1+xV3O8 are investigated by means of density functional theory (DFT) and a cluster expansion (CE) methodology that approximates the system Hamiltonian in order to identify the lowest energy…
Calculation of higher-order two-loop corrections is now a limiting factor in development of the bound state QED theory of the Lamb shift in the hydrogen atom and in precision determination of the Rydberg constant. Progress in the study of…
Theoretical calculations of the Lamb shift provide the basis required for the determination of the Rydberg constant from spectroscopic measurements in hydrogen. The recent high-precision determination of the proton charge radius drastically…
Cosmological models can be constrained by determining primordial abundances. Accurate predictions of the He I spectrum are needed to determine the primordial helium abundance to a precision of $< 1$% in order to constrain Big Bang…
The recent use of a new ensemble in density functional theory (DFT) to yield direct corrections to the Kohn-Sham transitions yields the elusive double excitations that are missed by time-dependent DFT with the standard adiabatic…
We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…