Related papers: Double excitations in molecules
The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy…
Exciton effects on soliton and bipolaron lattice states are investigated using an electron-lattice Peierls model with long-range Coulomb interactions. The Hartree-Fock (HF) approximation and the single-excitation configuration-interaction…
A theoretical study was conducted on the impact of electron and positron impact ionization of excited hydrogen atoms that were in the 3s state; this study was conducted within the First-Born Approximation (FBA), which provides an analytical…
Fulfilling the potential of the colloidal semiconductor quantum dots (QDs) in electrically driven applications remains a challenge largely since operation of such devices involves charged QDs with drastically different photo-physical…
We present a first-principles method for the calculation of optical excitations in nanosystems. The method is based on solving the Bethe-Salpeter equation (BSE) for neutral excitations. The electron self-energy is evaluated within the GW…
Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical…
State mapping between atoms and photons, and photon-photon interactions play an important role in scalable quantum information processing. We consider the interaction of a two-level atom with a quantized \textit{propagating} pulse in free…
The potential for low-threshold optical nonlinearity has received significant attention in the fields of photonics and conceptual optical neuron networks. Excitons in two-dimensional (2D) semiconductors are particularly promising in this…
A scanning tunneling microscope is used to study the fluorescence of a model charged molecule (quinacridone) adsorbed on a sodium chloride (NaCl)-covered metallic sample. Fluorescence from the neutral and positively charged species is…
We investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules,…
Superradiance typically requires preparation of atoms in highly entangled multi-particle states, the so-called Dicke states. In this paper we discuss an alternative route where we prepare such states from initially uncorrelated atoms by a…
The ground and excited state electronic structure of the molecular photoswitches quadricyclane and norbornadiene is examined qualitatively and quantitatively. A new custom basis set is introduced, optimised for efficient yet accurate…
An accurate determination of singlet-triplet gaps in biradicals, including cyclobutadiene in the automerization barrier region where one has to balance the substantial nondynamical many-electron correlation effects characterizing the…
Optical excitations in a Bose gas are demonstrated to be very sensitive to many-body effects. At low temperature the momentum relaxation is provided by momentum exchange collisions, rather than by elastic collisions. A collective excitation…
The effect of the two-nucleon excitation from $p$ to $sd$ shell is discussed in $^{12}$C and $^{14}$C in the frame work of shell model. The recently suggested shell-model Hamiltonian YSOX provides an suitable tool to investigate the…
Developing coherent excitation methods for quantum emitters which enable high brightness, good single-photon purity and high indistinguishability of the emitted photons has been a key challenge in the past years. While many methods have…
Bound states arise in waveguide QED systems with a strong frequency-dependence of the coupling between emitters and photonic modes. While exciting such bound-states with single photon wave-packets is not possible, photon-photon interactions…
Motivated by recent advances in the creation of few-body atomic Fermi gases with attractive interactions, we study theoretically the few-to-many-particle crossover of pair excitations, which for large particle numbers evolve into a mode…
We develop a cubic scaling approach to excited-state-specific second order perturbation theory in which the completeness of a local correlation treatment is carefully matched between the ground and excited state. With this matching, the…
We present an ab initio study of electronically excited states of three-dimensional solids using Gaussian-based periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD). The explicit use of…