Related papers: Perturbation-theory approach for predicting vibron…
The simple ultraviolet absorption spectrum of thiophene is investigated using a combination of a vibronic coupling model Hamiltonian with multi-configuration time-dependent Hartree quantum dynamics simulations. The model includes five…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
Achieving control over light-matter interaction in custom-tailored nanostructures is at the core of modern quantum electrodynamics [1-15]. In ultrastrongly coupled systems [5-15], excitation is repeatedly exchanged between a resonator and…
The rates of protein folding with photon absorption or emission and the cross section of photon -protein inelastic scattering are calculated from the quantum folding theory by use of standard field-theoretical method. All these protein…
This contribution summarises the theoretical basics for the theory of x-ray matter interaction and is based on a quantised description of the electromagnetic field. In view of a formally transparent presentation, we adopt the approach of…
In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It combines analytical expressions for the first-order derivative…
Consider a supervised dataset $D=[A\mid \textbf{b}]$, where $\textbf{b}$ is the outcome column, rows of $D$ correspond to observations, and columns of $A$ are the features of the dataset. A central problem in machine learning and pattern…
The exact factorization approach, originally developed for electron-nuclear dynamics, is extended to light-matter interactions within the dipole approximation. This allows for a Schrodinger equation for the photonic wavefunction, in which…
In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is…
The quantum structure of Spacetime at the Planck scale suggests the use, in defining interactions between fields, of the Quantum Wick product. The resulting theory is ultraviolet finite, but subject to an adiabatic cutoff in time which…
We analytically tackle opto-vibronic interactions in molecular systems driven by either classical or quantum light fields. In particular, we examine a simple model of molecules with two relevant electronic levels, characterized by potential…
A comprehensive theoretical understanding of electron-photon correlation is essential for describing the reshaping of molecular orbitals in quantum electrodynamics (QED) environments. The strong coupling QED Hartree-Fock (SC-QED-HF) theory…
Entangled photons exhibit non-classical light-matter interactions that create new opportunities in materials and molecular science. For example, in entangled two-photon absorption, the intensity-dependence scales linearly as if only one…
This is the second of two papers in which we study real and virtual photon-proton scattering in a nonperturbative framework. In the first paper we have identified the leading contributions to this process at high energies and have derived…
Probing vibronic coherence in molecules has been a central topic in ultrafast science, as it is an essential prerequisite to monitoring electronic motion. While experiments have demonstrated that attosecond transient absorption spectroscopy…
We investigate the influence of vibrational phonon modes on the entanglement through a quantum dot molecule under the bias voltage-driven field. The molecular quantum dot system can be realized by coupled quantum dots in the middle of the…
When a low flux of time-frequency-entangled photon pairs (EPP) illuminates a two-photon transition, the rate of two-photon absorption (TPA) can be enhanced considerably by the quantum nature of photon number correlations and frequency…
Light injected into a spherical dielectric body may be confined very efficiently via the mechanism of total internal reflection. The frequencies that are most confined are called resonances. If the shape of the body deviates from the…
We investigate the scattering processes of two photons in a one-dimensional waveguide coupled to two giant atoms. By adjusting the accumulated phase shifts between the coupling points, we are able to effectively manipulate the…
Postselection is a non-deterministic mechanism to entangle subsystems, often used in weakly-excited systems. We here show how highly-excited ensembles of two-level emitters can be entangled by photon detection. A collective spin is formed,…