相关论文: Optical-cavity manipulation strategies of singlet …
Polaritons are unique hybrid light-matter states that offer an alternative way to manipulate chemical processes and change material properties. In this work we theoretically demonstrate that singlet fission dynamics can be accelerated under…
We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an…
The enormous progress in controlling quantum optical and atomic systems has prompted ideas for new experimental realizations of strongly correlated many-body systems operating with light. These systems consist of photons confined in optical…
A detailed understanding of strong matter-photon interactions requires first-principle methods that can solve the fundamental Pauli-Fierz Hamiltonian of non-relativistic quantum electrodynamics efficiently. A possible way to extend…
Conical intersections are central to the description of photophysics and photochemistry. Nevertheless, in non-adiabatic molecular dynamics simulations, they are fundamentally challenging for single-reference electronic structure methods.…
We consider an ensemble of homonuclear diatomic molecules coupled to the two polarization directions of a Fabry-P\'erot cavity via fully quantum simulations. Accompanied by analytical results, we identify a coupling mechanism mediated…
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…
Endothermic singlet fission (SF), an exciton multiplication process that produces a pair of high-energy triplet excitons (T1T1), is appealing for photovoltaic or photoelectrochemical applications, as it allows the conversion of entropy into…
For the theoretical screening of Singlet Fission (SF) rates in molecular aggregates, commonly dimer model systems are employed. However, there is experimental evidence, that the SF process proceeds from the $^{1}$(TT) state via an…
Static and dynamic aspects of the fission process of $^{226}$Th are analyzed in a self-consistent framework based on relativistic energy density functionals. Constrained relativistic mean-field (RMF) calculations in the collective space of…
Singlet fission is an important candidate to increase energy conversion efficiency in organic photovoltaics by providing a pathway to increase the quantum yield of excitons per photon absorbed in select materials. We investigate the…
We introduce a prototypical model for cavity polaritonic control of ultracold photochemistry by considering the resonant vibrational strong coupling of a rubidium dimer to a terahertz cavity. We demonstrate that at avoided crossings between…
We present a new methodology to calculate the strong light-matter coupling between photonic modes in microcavities and large molecular aggregates that consist of hundreds of molecular fragments. To this end, we combine our fragment…
We propose a new, rapidly convergent, the so-called Fourier over Spheroid (FoS), shape parametrization to model fission of heavy nuclei. Four collective coordinates are used to characterize the shape of the fissioning system, being its…
The interplay between superconductivity (SC) and ferromagnetism (FM) when embedded together has attracted unprecedented research interest due to very rare coexistence of these two phenomena. The focus has been mainly put into the proximity…
Developing theoretical frameworks for vibrational strong coupling (VSC) beyond the single-mode approximation is crucial for a comprehensive understanding of experiments with planar Fabry-P\'erot cavities. Herein, a generalized cavity…
Spontaneous parametric down-conversion in quantum optics is an invaluable resource for the realization of high-dimensional qudits with spatial modes of light. One of the main open challenges is how to directly generate a desirable qudit…
Nonlinear interactions between phonon modes govern the behavior of vibrationally highly excited solids and molecules. Here, we demonstrate theoretically that optical cavities can be used to control the redistribution of energy from a highly…
Employing a sapphire whispering gallery mode resonator, we demonstrate features of the spin-photon interaction in cavities with broken time-reflection symmetry. The broken symmetry leads to a lifting of the degeneracy between left-handed…
Quantum simulation using synthetic quantum systems offers unique opportunities to explore open questions in many-body physics and a path for the generation of useful entangled states. Nevertheless, so far many quantum simulators have been…