Related papers: Quantitative wave function analysis for excited st…
An electron within a mesoscopic (quantum-coherent) spintronic structure is described by a single wave function which, in the presence of both charge scattering and spin-orbit coupling, encodes an information about {\em entanglement} of its…
Charge dynamics in an ultra-cold setup involving a laser dressed atom and an ion is studied here. This transfer of charge is enabled through molecular Rydberg states that are accessed via a laser. The character of the charge exchange…
New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom--ion trap under high vacuum conditions. The collisional cooling of laser pre-cooled…
The interaction between excited states of a closed-shell chromophore and a nearby free radical species gives rise to spin-coupled doublet states, namely singdoublet and tripdoublet, as well as a quartet state. This coupling facilitates…
The excitation spectra in the deformed nucleus 158Gd have been studied with high energy resolution by means of the (p,t) reaction using the Q3D spectrograph facility at the Munich Tandem accelerator. The angular distributions of tritons…
Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical…
We study electromagnetic transitions of excited baryons in a deformed oscillator quark model, where baryon excited states are described as rotational bands of deformed intrinsic states. We describe all necessary tools to compute transition…
An ab initio study of the electronic and spin configuration for the iron ion in the active center of the human hemoglobin molecule is presented. It is well known that the iron ion, being surrounded by the porphyrin ring and the ligands,…
We optically probe the spectrum of ground and excited state transitions of an individual, electrically tunable self-assembled quantum dot molecule. Photocurrent absorption measurements show that the spatially direct neutral exciton…
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…
We study the non-integrable Dicke model, and its integrable approximation, the Tavis-Cummings model, as functions of both the coupling constant and the excitation energy. Excited-state quantum phase transitions (ESQPT) are found analyzing…
We present two-color modulation transfer spectroscopy as a tool for precision studies of atomic properties of excited states. The bi-colored technique addresses a narrow set of velocity groups of a thermal atomic vapour using a two-step…
The structure of exotic nuclei provides valuable tests for state-of-the-art nuclear theory. In particular electromagnetic transition rates are more sensitive to aspects of nuclear forces and many-body physics than excitation energies alone.…
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…
The laser excitation of an ion crystal to high lying and long-lived electronic states is a genuine many-body process even if in fact only a single ion is excited. This is a direct manifestation of the strong coupling between internal and…
We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a set of integral equations. With a simple approximation for the…
Outer sphere electron transfer rates can be calculated from simulation data by sampling the equilibrium statistics of the canonical reaction coordinate -- the vertical energy gap. For these calculations, electron transfer is typically…
We introduce a practical calculation scheme for the description of excited electron dynamics in molecular aggregated systems within a locally group diabatic Fock representation. This scheme makes it easy to analyze the interacting…
Initialization of a qubit in a pure state is a prerequisite for quantum computer operation. Qubits are commonly initialized by cooling to their ground states through passive thermalization or by using active reset protocols. To accurately…
We introduce a novel methodology for simulating the excited-state dynamics of extensive molecular aggregates in the framework of the long-range corrected time-dependent density-functional tight-binding fragment molecular orbital method…