Related papers: Molecular vibrations-induced quantum beats in two-…
Multi-dimensional spectroscopy represents a particularly insightful tool for investigating the interplay of nuclear and electronic dynamics, which plays an important role in a number of photophysical processes and photochemical reactions.…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
Motivated by recent experimental measurement of the intrinsic excitonic wave-function in 2D Transition-metal dichalcogenides (TMDs) by angle-resolved photoemission spectroscopy (ARPES), we developed a theoretical study to resolve some…
We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…
We consider a single harmonic oscillator coupled to a bath at zero temperature. As is well known, the oscillator then has a higher average energy than that given by its ground state. Here we show analytically that for a damping model with…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…
Two-dimensional spectroscopy (2DS) is a powerful ultrafast technique for probing electronic and vibrational dynamics in complex microscopic systems. Extracting detailed information on system dynamics and system-bath interactions from 2DS…
Vibrational spectroscopy is key for probing the interplay between the structure and dynamics of aqueous systems. In order to map different regions of experimental spectra to the microscopic structure of a system, it is important to combine…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
Molecular electronics is a rapidly developing field focused on using molecules as the structural basis for electronic components. It is common in such devices for the system of interest to couple simultaneously to multiple environments.…
The rotational echo response of molecules is found to strongly depend on the delay between the two ultrashort laser pulses, as opposed to two-level systems. We study this dependence experimentally and theoretically and show that by…
We study numerically the damping of quantum oscillations and the increase of entropy with time in model spin systems decohered by a spin bath. In some experimentally relevant cases, the oscillations of considerable amplitude can persist…
We develop a quantum mechanical formalism to treat the strong coupling between an electromagnetic mode and a vibrational excitation of an ensemble of organic molecules. By employing a Bloch-Redfield-Wangsness approach, we show that the…
We study the signature of scale invariance in the far-from-equilibrium quantum dynamics of two dimensional Bose gases. We show that the density profile displays a scale invariant logarithmic singularity near the center. In addition, the…
Quantum simulation offers a route to study open-system molecular dynamics in non-perturbative regimes by programming the interactions among electronic, vibrational, and environmental degrees of freedom on similar energy scales. Trapped-ion…
This paper presents the inversion symmetry breaking observed in ion-pair formation from molecular hydrogen on electron impact. We explain these observations using quantum interference of two dissociation paths coherently accessed by…
Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…
The energy of the bosonic bath and the flow of quantum information are analyzed over short and long times in local dephasing channels for special correlated or factorized initial conditions, respectively, which involve thermal states. The…