Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential

We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-local dependence on the density. Using one-dimensional two-electron model systems, we illustrate these steps for a range of non-equilibrium dynamical situations relevant for modeling of photo-chemical/physical processes: field-free evolution of a non-stationary state, resonant local excitation, resonant complete charge-transfer, and evolution under an arbitrary field. Lack of these steps in usual approximations yield inaccurate dynamics, for example predicting faster dynamics and incomplete charge transfer

Charge-transfer in time-dependent density-functional theory via spin-symmetry-breaking

Long-range charge-transfer excitations pose a major challenge for time-dependent density functional approximations. We show that spin-symmetry-breaking offers a simple solution for molecules composed of open-shell fragments, yielding accurate excitations at large separations when the acceptor effectively contains one active electron. Unrestricted exact-exchange and self-interaction-corrected functionals are performed on one-dimensional models and the real LiH molecule within the pseudopotential approximation to demonstrate our results.Comment: 5 pages, 4 figure

Semiclassical Electron Correlation in Density-Matrix Time-Propagation

Lack of memory (locality in time) is a major limitation of almost all present time-dependent density functional approximations. By using semiclassical dynamics to compute correlation effects within a density-matrix functional approach, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.Comment: 4.5 pages, 1 figur

Simultaneous multiwavelength observations of V404 Cygni during its 2015 June outburst decay strengthen the case for an extremely energetic jet-base

We present results of multiband optical photometry of the black hole X-ray binary system V404 Cygni obtained using Wheaton College Observatory's 0.3m telescope, along with strictly simultaneous INTEGRAL and Swift observations during 2015 June 25.15--26.33 UT, and 2015 June 27.10--27.34 UT. These observations were made during the 2015 June outburst of the source when it was going through an epoch of violent activity in all wavelengths ranging from radio to $\gamma$-rays. The multiwavelength variability timescale favors a compact emission region, most likely originating in a jet outflow, for both observing epochs presented in this work. The simultaneous INTEGRAL/Imager on Board the Integral Satellite (IBIS) 20--40 keV light curve obtained during the June 27 observing run correlates very strongly with the optical light curve, with no detectable delay between the optical bands as well as between the optical and hard X-rays. The average slope of the dereddened spectral energy distribution was roughly flat between the $I_C$- and $V$-bands during the June 27 run, even though the optical and X-ray flux varied by $>$25$\times$ during the run, ruling out an irradiation origin for the optical and suggesting that the optically thick to optically thin jet synchrotron break during the observations was at a frequency larger than that of $V$-band, which is quite extreme for X-ray binaries. These observations suggest that the optical emission originated very close to the base of the jet. A strong H$\alpha$ emission line, probably originating in a quasi-spherical nebula around the source, also contributes significantly in the $R_C$-band. Our data, in conjunction with contemporaneous data at other wavelengths presented by other groups, strongly suggest that the jet-base was extremely compact and energetic during this phase of the outburst.Comment: 15 pages, 2 tables, 5 figures. Accepted for publication in Ap