Related papers: The biexciton puzzle
Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…
We introduce the concept of a variational tricomplex, which is applicable both to variational and non-variational gauge systems. Assigning this tricomplex with an appropriate symplectic structure and a Cauchy foliation, we establish a…
We have computed the absorption and emission energies and hence Stokes shifts of small diamondoids as a function of size using different theoretical approaches, including density functional theory and quantum Monte Carlo (QMC) calculations.…
We study inelastic vibration-assisted charge transfer effects in two-site molecular junctions, focusing on signatures of vibrational anharmonicity on the electrical characteristics and the thermoelectric response of the junction. We…
The optical spectra of two dimensional (2D) materials exhibit sharp absorption peaks that are commonly identified with exciton and trions (or charged excitons). In this paper, we show that excitons and trions in doped 2D materials can be…
Binding energies calculated from using the Bethe-Salpeter equation in the simplest ladder approximation significantly differ from those obtained in the non-relativistic standard instantaneous approximation. While they should a priori be…
This paper introduces variational design methods that are novel to Geophysics, and discusses their benefits and limitations in the context of geophysical applications and more established design methods. Variational methods rely on…
Several studies on the transition voltage ($V_t$) are based on calculations of the tunneling current within the Simmons model. In this paper devoted to vacuum nano-junctions, we compare the Simmons results for $V_t$ with those obtained from…
Monolayer transition-metal dichalcogenides are direct gap semiconductors with great promise for optoelectronic devices. Although spatial correlation of electrons and holes plays a key role, there is little experimental information on such…
We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The atomic structures of phase III modelled by C2/c-24 crystals…
Coulomb interactions in atomically thin materials are uniquely sensitive to variations in the dielectric screening of the environment, which can be used to control quasiparticles and exotic quantum many-body phases. A static approximation…
We study vibrational statistics in current-carrying model molecular junctions using master equation approach. Especially, we concentrate on the validity of using an effective temperature $T_{\rm eff}$ to characterize the nonequilibrium…
The authors present a technique using variational Monte Carlo to solve for excited states of electronic systems. The technique is based on enforcing orthogonality to lower energy states, which results in a simple variational principle for…
The similarity transformed equation of motion coupled cluster (STEOM-CC) method is benchmarked against CC3 and EOM-CCSDT-3 for a large test set of valence excited states of organic molecules studied by Schreiber et al. [M. Schreiber, M.R.…
We introduce a model that accounts for the bipolar resistive switching phenomenom observed in transition metal oxides. It qualitatively describes the electric field-enhanced migration of oxygen vacancies at the nano-scale. The numerical…
Monolayers of transition metal dichalcogenides present an intriguing platform to investigate the interplay of excitonic complexes in two dimensional semiconductors. Here, we use optical spectroscopy to study light-matter coupling and…
We consider a purely harmonic chain of oscillators which is perturbed by a stochastic noise. Under this perturbation, the system exhibits two conserved quantities: the volume and the energy. At the level of the hydrodynamic limit, under…
Bound electron-hole pairs in semiconductors known as excitons are the subject of intense research due to their potential for optoelectronic devices and applications, especially in the realm of two-dimensional materials. While the properties…
The Variational Method is applied within the context of Supersymmetric Quantum Mechanics to provide information about the energy and eigenfunction of the lowest levels of a Hamiltonian. The approach is illustrated by the case of the Morse…
The QCD string model is employed to evaluate the masses of orbitally and radially excited heavy-light mesons and lightest hybrids in the spectrum of charmonium and bottomonium. The number of parameters of the model is reduced to only seven…