Related papers: Molecular Dynamics at Electrical- and Optical-Driv…
Photoelectron spectroscopy is a powerful method that provides insight into the quantum mechanical properties of a wide range of systems. The ionized electron wavefunction carries information on the structure of the bound orbital, the ionic…
In this letter we demonstrate the possibility to determine the temporal and spectral structure (spectrogram) of a complex light pulse exploiting the ultrafast switching character of a non-thermal photo-induced phase transition. As a proof,…
We investigate the possibility of optical current control through single molecules which are weakly coupled to leads. A master equation approach for the transport through a molecule is combined with a Floquet theory for the time-dependent…
Fundamentally, the dynamics of micro-macro transitions is instrumental to understanding the process of quantum-to-classical transitions; technologically, it can also facilitate the detection of the microscopic signals in quantum experiments…
Using molecular dynamics computer simulations, we investigate the dynamics of the rotational degrees of freedom in a supercooled system composed of rigid, diatomic molecules. The interaction between the molecules is given by the sum of…
Molecular laser cooling and trapping requires addressing all spontaneous decays to excited vibrational states that occur at the $\gtrsim 10^{-4} - 10^{-5}$ level, which is accomplished by driving repumping transitions out of these states.…
Infrared and Raman spectra of the three chiral molecular conductors (EDT-TTF-OX)_2AsF_6, comprising two salts based on enantiopure EDT-TTF-OX donor molecules and one based on their racemic mixture, have been measured as a function of…
Laser spectroscopy of cold and trapped molecular ions is a powerful tool for fundamental physics, including the determination of fundamental constants, the laboratory test for their possible variation, and the search for a possible electric…
We report a combined experimental and theoretical simulation of multiply scattered light dynamics in an ultracold gas of 85Rb atoms. Measurements of the spectral dependence of the time-decay of the scattered light intensity, following…
X-ray Photon Correlation Spectroscopy (XPCS) enables direct access to atomic-scale dynamics in disordered materials, revealing both spontaneous and X-ray-induced relaxation processes. Here, we study two compositionally similar alloy glasses…
We report first principles investigation of time-dependent current of molecular devices under a step-like pulse.Our results show that although the switch-on time of the molecular device is comparable to the transit time, much longer time is…
Photoinduced electronic transitions are complex quantum-mechanical processes where electrons move between energy levels due to light absorption. This induces dynamics in electronic structure and nuclear geometry, driving important physical…
The femtosecond transinet optical spectroscopy is employed to study the relaxation dynamics of the equilibrium and hidden metastable charge-density-wave states in single crystals of 1$T$-TaS$_{2-x}$Se$_{x}$ as a function of the Se doping…
Infrared pump-probe spectroscopy provides detailed information on the dynamics of hydrogen-bonded liquids. Due to dissipation of the absorbed pump pulse energy, also thermal equilibration dynamics contributes to the observed signal.…
The rotational and hyperfine spectrum of the $X^1\Sigma^+ \rightarrow B^3\Pi_1$ transition in TlF molecules was measured using laser-induced fluorescence from both a thermal and a cryogenic molecular beam. Rotational and hyperfine constants…
The integration time step is a critical determinant of performance in molecular dynamics simulations, governing the trade-off between speed and fidelity. Although 2 fs remains the standard in atomistic biomolecular simulations, the push for…
In this paper we present a method to measure transient fluorescent dynamics with single trapped ions in a Paul trap. We use $^{40}$Ca$^+$ ions which exhibit a $\Lambda$-type three-level system and measure the characteristic optical pumping…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
Ultrafast processes in matter, such as the electron emission following light absorption, can now be studied using ultrashort light pulses of attosecond duration ($10^{-18}$s) in the extreme ultraviolet spectral range. The lack of spectral…
When optically excited, iodine absorbs in the 490- to 650-nm visible region of the spectrum and, after radiative relaxation, it displays an emission spectrum of discrete vibrational bands at moderate resolution. This makes laser-induced…