Related papers: Excited State Absorption: Reference Oscillator Str…
We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy…
Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photo-bases and acids to light-driven, enzymatic catalysis and photosynthesis. However, the simulation of such…
Calculating charge transfer (CT) excitation energies with high accuracy and low computational cost is a challenging task. Kohn-Sham density functional theory (KS-DFT), due to its efficiency and accuracy, has achieved great success in…
Quantum annealing has been demonstrated with superconducting qubits. Such a quantum annealer has been used to solve combinatorial optimization problems. Moreover, it serves as a quantum simulator for investigating the properties of quantum…
Optical limiting (OL), a crucial mechanism for protecting human eyes and sensitive sensors from intense radiation, relies on understanding the optical nonlinearities acting on the systems. Assessing and disentangling the effects at play is…
The combination of the many-body Green's function $GW$ approximation and the Bethe-Salpeter equation (BSE) formalism has shown to be a promising alternative to time-dependent density-functional theory (TD-DFT) for computing vertical…
To translate electrical into optical signals one uses the modulation of either the refractive index or the absorbance of a material by an electric field. Contemporary electroabsorption modulators (EAMs) employ the quantum confined Stark…
The \b{eta}-decay of 100 Tc has been studied using the Total Absorption {\gamma}-Ray Spectroscopy technique at IGISOL. In this work the new DTAS spectrometer in coincidence with a cylindrical plastic \b{eta} detector has been employed. The…
A Kohn-Sham density-functional energy expression is derived for any (ground or excited) state within a given many-electron ensemble along with the stationarity condition it fulfills with respect to the ensemble density, thus giving access…
The electronic structure of atomic quantum systems and their dynamical interaction with light is reflected in transition dipole matrix elements coupling the system's energy eigenstates. In this work, we measure phase shifts of the…
The Rabi model, a two-level atom coupled to a harmonic oscillator, can undergo a second-order quantum phase transition (QPT) [M. -J. Hwang et al, Phys. Rev. Lett. 115, 180404 (2015)]. Here we show that the Rabi QPT accompanies critical…
As an application in circuit quantum electrodynamics (cQED) coupled systems, superconducting resonators play an important role in high-sensitivity measurements in a superconductingsemiconductor hybrid architecture. Taking advantage of a…
Orbital-optimized density functional theory (DFT) has emerged as an alternative to time-dependent (TD) DFT capable of describing difficult excited states with significant electron density redistribution, such as charge-transfer, Rydberg,…
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quant. Chem. 48,…
The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…
The controlled SWAP test for detecting and quantifying entanglement applied to pure qubit states is robust to small errors in the states and efficient for large multi-qubit states (Foulds et al. 2021 Quantum Sci. Technol. 6, 035002…
We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…
The description of excited state dynamics in multichromophoric systems constitutes both a theoretical and experimental challenge in modern physical chemistry. An experimental protocol which can systematically characterize both coherent and…
Integrating nanoscale opto-electronic functions is vital for applications such as optical emitters, detectors, and quantum information. Lanthanide atoms show great potential in this endeavor due to their intrinsic transitions. Here, we…
Given a number of datasets for evaluating the performance of single reference methods for the low-lying excited states of closed-shell molecules, a comprehensive dataset for assessing the performance of multireference methods for the…