Related papers: Simulating Nonadiabatic Dynamics in Benzophenone: …
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
Electron-electron interactions in general lead to both ground state and excited state confinement. We show, however, that in phenyl-substituted polyacetylenes electron-electron interactions cause enhanced delocalization of quasiparticles in…
The quantum dynamics of linear molecular aggregates in the presence of S0-S1 and S0-S2 transitions is investigated putting emphasis on the interplay between local non-adiabatic S2 to S1 deactivation and Frenkel exciton transfer. The…
Radiative nonlinear four-wave mixing can monitor the evolution of electronic wave packets, providing access to lifetimes and quantifies the light induced couplings between excited states. We report the observation of quantum beats in an…
Molecular dimers are widely utilized as a tool to investigate the structure-property relationships behind the complex photophysical processes of condensed-phase systems, where structural tuning remains a challenge. This approach often…
We report on the nonequilibrium quasiparticle dynamics in BaFe$_2$As$_2$ on both the hole doped (Ba$_{1-x}$K$_x$Fe$_2$As$_2$) and electron doped (BaFe$_{2-y}$Co$_y$As$_2$) sides of the phase diagram using ultrafast pump-probe spectroscopy.…
The Landau--Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation.…
A two-state model Hamiltonian is proposed to model the coupling of twisting displacements to charge-transfer behavior in the ground and excited states of a general monomethine dye molecule. This coupling may be relevant to the molecular…
Excited states are the key species in photocatalysis, while the critical parameters that govern their applications are: i) excitation energy, ii) accessibility, and iii) lifetime. However, in molecular transition metal-based…
The nonequilibrium dynamics of a quantum dot with electron-phonon interactions described by a generalized Holstein model is presented. A combination of methodologies including the reduced density matrix formalism, the multilayer…
Using the exact eigenstates of the inhomogeneous Dicke model obtained by numerically solving the Bethe equations, we study the decay of bosonic excitations due to the coupling of the mode to an ensemble of two-level (spin 1/2) systems. We…
We investigate the role of the collective antisymmetric state in entanglement creation by spontaneous emission in a system of two non-overlapping two-level atoms. We calculate and illustrate graphically populations of the collective atomic…
The lowest electronic excitations of benzene and a set of donor-acceptor molecular complexes are calculated for the gas phase and on the Al(111) surface using the many-body Bethe-Salpeter equation (BSE). The energy of the charge-transfer…
The excitation spectrum of a highly-condensed two-dimensional trapped Bose-Einstein condensate (BEC) is investigated within the rotating frame of reference. The rotation is used to transfer high-lying excited states to the low-energy…
The system-environment interaction is simulated by light propagating in coupled photonic waveguides. The profile of the electromagnetic field provides intuitive physical insight to study the Markovian and non-Markovian dynamics of open…
Magnetically trapped neutral atoms can be cooled with the evaporation technique. This is typically done by using a radiofrequency (rf) field that adiabatically couples trapped and untrapped internal atomic states for atoms with kinetic…
Simulating the irreversible quantum dynamics of exciton and electron transfer problems poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result of quantum thermal activation and dissipation caused by the…
Controlling the activity of proteins with azobenzene photoswitches is a potent tool for manipulating their biological function. With the help of light, one can change e.g. binding affinities, control allostery or temper with complex…
This master's thesis investigates the thermal and photochemical dehydrogenation of ethylbenzene (EB) to styrene on the rutile TiO$_{2}$(110) surface. A dual-methodological quantum chemical approach is used for this investigation. While…
Systems consisting of cold atoms trapped near photonic crystal waveguides have recently emerged as an exciting platform for quantum atom-light interfaces. Such a system enables realization of tunable long-range interactions between internal…