Related papers: Excitons in solids from periodic equation-of-motio…
Ab initio techniques for studying the optical and vibrational properties of materials are well-established, but only a few recent studies have focused on the interaction between excitons and atomic vibrations. In this paper, we revisit the…
Coupled cluster methods based exclusively on double excitations are comparatively "cheap" and interesting model chemistries, as they are typically able to capture the bulk of the dynamical electron correlation effects. The trade-off in such…
A phenomenological theory of exciton condensation in conditions of inhomogeneous excitation is proposed. The theory is applied to the study of the development of an exciton luminescence ring and the ring fragmentation at macroscopical…
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…
Exciton Mott physics in two-dimensional electron-hole (e-h) systems is studied in the quasiequilibrium, which is the crossovers or phase transitions between the insulating exciton gas and the metallic e-h plasma. By developing a…
We extend the CIPSI-driven CC($P$;$Q$) methodology [K. Gururangan et al., J. Chem. Phys. 155 (2021) 174114], in which the leading higher-than-doubly excited determinants are identified using the selected configuration interaction (CI)…
Linear response of simple (i.e., condensed) Bose-Einstein condensates is known to lead to the Bogoliubov- de Gennes equations. Here, we derive linear response for fragmented Bose-Einstein condensates, i.e., for the case where the many-body…
In this paper, we present an efficient and spectrally accurate numerical method to compute elementary/collective excitations in two-component Bose-Einstein condensates (BEC), around their mean-field ground state, by solving the associated…
Surface and volume plasmons excited in a metal cluster by moving electron and corresponding inelastic scattering spectra are studied based on the hydrodynamic approach. Along with the bulk losses traditionally taken into account, the…
The nonperturbative analysis of the one-particle excitation of the electron-positron field is made in the paper. The standard form of quantum electrodynamics (QED) is used but the coupling constant $\alpha_0$ is supposed to be of a large…
We calculate the optical properties of a series of passivated non-stoichiometric CdSe clusters using two first-principles approaches: time-dependent density functional theory within the local density approximation, and by solving the…
Accurate yet efficient modeling of chemical systems with pronounced static correlation in their excited states remains a significant challenge in quantum chemistry, as most electronic structure methods that can adequately capture static…
We study dynamics of incoherent exciton formation under interband photoexcitation in Cu$_2$O using time-and angle-resolved photoemission spectroscopy at 90 K. Hot electrons injected by allowed optical transitions with 3.40-eV photons show…
We consider a system of weakly interacting bosons confined on a planar double lattice ring subjected to two artificial gauge fields. This system is known to display three phases, the Meissner phase where the flow of particles is carried at…
We investigate the emergence of an exciton condensate and associated collective modes in a bilayer configuration of $\text{MnBi}_2\text{Te}_4$, an antiferromagnetic topological insulator and van der Waals material, recognized for hosting…
We study spin dynamics of excitons confined in self-assembled CdSe quantum dots by means of optical orientation in magnetic field. At zero field the exciton emission from QDs populated via LO phonon-assisted absorption shows a circular…
Resolving the early-stage dynamics of exciton formation following non-resonant photoexcitation in time, energy, and momentum is quite challenging due to their inherently fast timescales and the proximity of the excitonic state to the bottom…
We present a linear-response formulation of density cumulant theory (DCT) that provides a balanced and accurate description of many electronic states simultaneously. In the original DCT formulation, only information about a single…
Multiple exciton generation is a process in which more than one electron hole pair is generated per absorbed photon. It allows us to increase the efficiency of solar energy harvesting. Experimental studies have shown the multiple exciton…
The cluster expansion method is applied to electronic excitations and a set of effective cluster density of states (ECDOS) are defined, analogous to effective cluster interactions (ECI). The ECDOS are used to generate alloy thermodynamic…