Related papers: Time-dependent coupled cluster theory for ultrafas…
Full insight into the dynamics of a coupled quantum system depends on the ability to follow the effect of a local excitation in real-time. Here, we trace the coherent evolution of a pair of coupled atomic spins by means of scanning…
We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with full configuration interaction theory. Our numerical…
We study phase-dependent fluctuations of the resonance fluorescence of a single $\Lambda$-type three-level atom in the regime near coherent population trapping, i.e., alongside the two-photon detuning condition. To this end, we employ the…
Modeling charge transfer well can require treating post-excitation orbital relaxations and handling medium to large molecules in realistic environments. By combining a state-specific correlation treatment with such orbital relaxations,…
Interpretation of time-resolved spectroscopies such as transient absorption (TA) or two-dimensional (2D) spectroscopy often relies on the perturbative description of light-matter interaction. In many cases the third order of nonlinear…
We investigate pump-dump photoassociation of ultracold molecules with amplitude- and phase-modulated femtosecond laser pulses. For this purpose a perturbative model for the light-matter interaction is developed and combined with a genetic…
Spectral clustering is a novel clustering method which can detect complex shapes of data clusters. However, it requires the eigen decomposition of the graph Laplacian matrix, which is proportion to $O(n^3)$ and thus is not suitable for…
The time-dependent equation-of-motion coupled cluster (TD-EOM-CC) and time-dependent coupled cluster (TDCC) methods are compared by simulating Rabi oscillations for different numbers of non-interacting atoms in a classical electromagnetic…
Single-shot ultrafast absorbance spectroscopy based on the frequency encoding of the kinetics is analyzed theoretically and implemented experimentally. The kinetics are sampled in the frequency domain using linearly chirped, amplified 33 fs…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
The theory for time-resolved photoemission spectroscopy as applied to pump-probe experiments is developed and solved for the generic case of a strongly correlated material. The formal development incorporates all of the nonequilibrium…
An implementation of a complex solver for the solution of the response equations required to compute the complex response functions of damped response theory is presented for the resolution-of-identity (RI) coupled-cluster singles and…
The ability to control absorption by modifying the polarization of light presents an exciting opportunity to experimentally determine the orbital alignment of absorption features. Here, attosecond extreme ultraviolet (XUV) transient…
Using trapped atomic ions we demonstrate a tailored and versatile effective spin-system suitable for quantum simulations and universal quantum computation. By simply applying microwave pulses, selected spins can be decoupled from the…
We show that, in optical pump-probe experiments on bulk samples, the statistical distribution of the intensity of ultrashort light pulses after the interaction with a nonequilibrium complex material can be used to measure the time-dependent…
We present linear response theories in the continuum capable of describing photoionization spectra and dynamic polarizabilities of finite systems with no spatial symmetry. Our formulations are based on the time-dependent local density…
We use R-Matrix with Time-dependence (RMT) theory, with spin-orbit effects included, to study krypton irradiated by two time-delayed XUV ultrashort pulses. The first pulse excites the atom to 4s$^{2}$4p$^{5}$5s. The second pulse then…
X-ray spectroscopy has been a key method to determine ground and excited state properties of quantum materials with atomic specificity. Now, new x-ray facilities are opening the door to the study of pump-probe x-ray spectroscopy -…
Femtosecond optical pump-probe technique is used to study charge carrier dynamics in few-layer MoS2 samples fabricated by mechanical exfoliation. An ultrafast pump pulse excites carriers and differential reflection of a probe pulse tuned to…
In an ultrafast optical-pump terahertz-probe measurement, the photoinduced material response can be modulated on a timescale shorter than the extent of the THz pulse. In this situation, the measured time-frequency response deviates from a…