相关论文: Time-dependent coupled cluster theory for ultrafas…
In virtual-state spectroscopy, information about the energy-level structure of an arbitrary sample is retrieved by Fourier transforming sets of measured two-photon absorption probabilities of entangled photon pairs where the degree of…
We studied time-dependent features of high-frequency fluorescent radiation from a two-level quantum system with broken inversion spatial symmetry. The system in question was modelled after a one-electron two-level asymmetric polar…
The exact delay-zero calibration in an attosecond pump-probe experiment is important for the correct interpretation of experimental data. In attosecond transient absorption spectroscopy the determination of the delay-zero exclusively from…
We present a linear-response formalism for a system of correlated electrons out of equilibrium, as relevant for the probe optical absorption in pump-probe experiments. We consider the time dependent optical conductivity $\sigma(\omega,t)$…
The issue of orbital relaxation in computational core-hole spectroscopy, specifically x-ray absorption, has been a major problem for methods such as equation-of-motion coupled cluster with singles and doubles (EOM-CCSD). The…
Shaped laser pulses are a powerful tool to induce population transfer between electronic molecular states, and time-dependent perturbation theory is suitable for a description of such a transfer in weak external fields. The application of…
The collective response of matter is ubiquitous and widely exploited, e.g. in plasmonic, optical and electronic devices. Here we trace on an attosecond time scale the birth of collective excitations in a finite system and find distinct new…
Transient absorption is a very powerful observable in attosecond experiments on atoms, molecules and solids and is frequently used in experiments employing phase-locked few-cycle infrared and XUV laser pulses derived from high harmonic…
We present and implement a new scheme for independent control of both the final and the transient population utilizing the symmetry properties of the system. By proper pulse shaping, utilizing the invariance of the two-photon absorption to…
The optical response of the lowest energy isomers of the B_20 family is calculated using time-dependent density functional theory within a real-space, real-time scheme. Significant differences are found among the absorption spectra of the…
In a previous Letter [Phys. Rev. Lett. 96, 123401 (2006)] we have shown by means of three-dimensional particle-in-cell simulations and a simple rigid-sphere model that nonlinear resonance absorption is the dominant collisionless absorption…
We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in…
The problem of orbital relaxation in computational core-hole spectroscopies, including x-ray absorption and x-ray photoionization, has long plagued linear response approaches, including equation-of-motion coupled cluster with singles and…
Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…
The relativistic coupled-cluster single-double method is used to calculate the dependence of frequencies of strong $E1$-transitions in many monovalent atoms and ions on the fine-structure constant $\alpha$. These transitions are used in the…
In this contribution we present calculations performed for interacting electron systems within a non-perturbative formulation of the cluster theory. Extrapolation of the model to describe the time dependence of the interacting systems is…
It is known that rare-gas or metal clusters absorb incident laser energy very efficiently. However, due to the intricate dependencies on all the laser and cluster parameters it is difficult to predict under which circumstances ionization…
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quant. Chem. 48,…
We present a new technique using a frequency comb laser and optical cavities for performing ultrafast transient absorption spectroscopy with improved sensitivity. Resonantly enhancing the probe pulses, we demonstrate a sensitivity of…
We leverage the Keldysh formalism to extend our implementation of finite temperature coupled cluster theory [\textit{J. Chem. Theory Comput.} 2018, \textit{14}, 5690-5700] to thermal systems that have been driven out of equilibrium. The…