Related papers: Rydberg transition frequencies from the Local Dens…
Due to its favorable computational efficiency time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite…
We present a metric-space approach to quantify the performance of density-functional approximations for interacting many-body systems and to explore the validity of the Hohenberg-Kohn-type theorem on fermionic lattices. This theorem…
The performance of time-independent, orbital optimized calculations of excited states is assessed with respect to charge transfer excitations in organic molecules in comparison to the linear-response time-dependent density functional theory…
The influence of dispersion on the differential scattering cross section in the vicinity of the first diffraction minimum is revisited for collision energies between 200 and 450 MeV. Transient nuclear excitations in the giant resonance…
The viability of adiabatic quantum computation depends on the slow evolution of the Hamiltonian. The adiabatic switching theorem provides an asymptotic series for error estimates in $1/T$, based on the lowest non-zero derivative of the…
We demonstrate a continuous frequency electric field measurement based on the far off-resonant AC stark effect in a Rydberg atomic vapor cell. In this configuration, a strong far off-resonant field, denoted as a local oscillator (LO) field,…
In some processes at the LHC, theoretical precisions of 1 percent are desired. With an eye toward such precisions, we introduce the theory of the simultaneous YFS resummation of QED and QCD to compute the size of the expected resummed soft…
We perform quantum electrodynamic calculations of the ionization energy of the $1s3d$ states of the $^4$He atom, including a complete evaluation of the $m\alpha^6$ correction. We find a large contribution from the nonradiative part of this…
We observe a series of conical intersections in the potential energy curves governing both the collision between a Rydberg atom and a ground-state atom and the structure of Rydberg molecules. By employing the electronic energy of the…
High precision variational calculations in Hylleraas coordinates are presented for all singlet and triplet $P$-states of helium up to principal quantum number $n = 35$ with a uniform accuracy of 1 part in $10^{22}$ for the nonrelativistic…
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…
We propose a computationally efficient approach to the nonadiabatic time-dependent density functional theory (TDDFT) which is based on a representation of the frequency-dependent exchange correlation kernel as a response of a set of damped…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
The known and usable truly nonlocal functionals for exchange-correlation energy of the inhomogeneous electron gas are the ADA (average density approximation) and the WDA (weighted density approximation). ADA, by design, yields the correct…
We investigate relativistic and quantum electrodynamic effects for highly-excited bound states in hydrogenlike systems (Rydberg states). In particular, hydrogenic one-loop Bethe logarithms are calculated for all circular states (l = n-1) in…
We present Link Density (LD) computed from the Recurrence Network (RN) of a time series data as an effective measure that can detect dynamical transitions in a system. We illustrate its use using time series from the standard Rossler system…
This paper studies the asymptotic properties of and alternative inference methods for kernel density estimation (KDE) for dyadic data. We first establish uniform convergence rates for dyadic KDE. Secondly, we propose a modified jackknife…
We derive formulas and perform calculations of nonadiabatic corrections to rates of electric quadrupole transitions in the hydrogen molecule. These corrections can be represented in terms of the quadrupole moment curve $D^{(1)}(R)$,…
We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set…
We consider the $\Lambda N\to NN$ weak transition, responsible for a large fraction of the non-mesonic weak decay of hypernuclei. We follow on the previously derived effective field theory and compute the next-to-leading one-loop…