Related papers: Simulating Nonadiabatic Dynamics in Benzophenone: …
The atom - electromagnetic field interaction is studied in the Dicke model, wherein a single field mode is interacting with a collection of two level atoms at thermal equilibrium. It is found that in the superradiant phase of the system,…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
An elementary excitation in an aggregate of coupled particles generates a collective excited state. We show that the dynamics of these excitations can be controlled by applying a transient external potential which modifies the phase of the…
This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the n-3s Rydberg S2 state. It stems from our contribution to the Special Topic of the Journal of Chemical Physics to test the predictive capability of…
Donor-acceptor (D-A) type copolymers show great potential for the application in the active layer of organic solar cells. Nevertheless the nature of the excited states, the coupling mechanism and the relaxation pathways following…
We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a…
Non-adiabatic dynamics and conical intersections play a central role in the chemistry of most polyatomic molecules, ranging from isomerization to heterocyclic ring opening and avoided photo-damage of DNA. Studying the underpinning…
We analyze some variants of the Zeno effect in which the frequent observation of the population of an intermediate state does not prevent the transition of the system from the initial state to a certain final state. This is achieved by…
We study using the Bethe-Salpeter formalism the excitation energies of the zincbacteriochlorinbacteriochlorin dyad, a paradigmatic photosynthetic complex. In great contrast with standard timedependent density functional theory calculations…
We report on experiments exploring the non-Hermitian dynamics of pairs of two-level atoms tightly confined in an optical lattice and driven by a near-resonant laser. Although spontaneous emission is negligible for the long-lived excited…
We study the nonequilibrium dynamics of a many-body bosonic system on a lattice, subject to driving and dissipation. The time-evolution is described by a master equation, which we treat within a generalized Gutzwiller mean field…
Adiabatic manipulation of the quantum state is an essential tool in modern quantum information processing. Here we demonstrate the speed-up of the adiabatic population transfer in a three-level superconducting transmon circuit by…
The electronic interaction between an optically active singlet state ($S_1S_0$) and a dark state of singlet multiplicity, known as correlated triplet pair ($^1[TT]$), plays a crucial role in the effective transformation from $S_1S_0$ to…
Tetraphenylpyrazine (TPP) and 2,3,4,5-tetraphenyl-1H-pyrrole (TePP) are closely related heterocycles bearing four phenyl substituents, whose structural similarity makes them a useful pair for comparing how intramolecular flexibility…
We present here a general formulation for the interband dynamical optical conductivity in the nonlinear regime of graphene in the presence of a quantum bath comprising phonons and electrons. Our main focus is the relaxation behavior of the…
As the simplest nitroaromatic compound, nitrobenzene is an interesting model system to explore the rich photochemistry of nitroaromatic compounds. Previous measurements of nitrobenzene's photochemical dynamics have probed structural and…
Time-resolved coincidence imaging of photoelectrons and photoions represents the most complete experimental measurement of ultrafast excited state dynamics, a multi-dimensional measurement for a multi-dimensional problem. Here we present…
In this work we study the first step in photosynthesis for the limiting case of a single photon interacting with photosystem II (PSII). We model our system using quantum trajectory theory, which allows us to consider not only the average…
Lewis acids like tris(pentafluorophenyl)borane (BCF) offer promising routes for efficient $p$-doping of organic semiconductors. The intriguing experimental results achieved so far call for a deeper understanding of the underlying doping…
We study within the many-body Green's function GW and Bethe-Salpeter approaches the neutral singlet excitations of the zinctetraphenylporphyrin and C70 fullerene donor-acceptor complex. The lowest transition is a charge-transfer excitation…