Related papers: Absorption spectra of electrified hydrogen molecul…
We investigate the characteristic effects of nuclear motion on attosecond transient absorption spectra in molecules by calculating the spectrum for different model systems. Two models of the hydrogen molecular ion are considered: one where…
We develop an analytical model to describe sub-bandgap optical absorption in two-dimensional semiconducting transition metal dichalcogenide (s-TMD) nanoflakes. The material system represents an array of few-layer molybdenum disulfide…
Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…
Electrons in condensed matter may transition into a variety of broken-symmetry phase states due to electron-electron interactions. Applying diverse mean-field approximations to the interaction term is arguably the simplest way to identify…
We have demonstrated efficient intersubband electroabsorption in InGaAs/InAlGaAs/InAlAs step quantum wells grown by metal-organic vapor phase epitaxy (MOVPE). An absorption modulation of 6 dB at $\lambda=6.0 \mu$m due to Stark shift of the…
The linear absorption spectrum of J and H molecular aggregates is studied using the time-dependent Dirac-Frenkel variational principle (TDVP) with the multi-Davydov D2 (mD2) trial wavefunction (Ansatz). Both the electronic and vibrational…
Dipole-dipole interactions between helium atoms in Rydberg-Stark states with principal quantum number $n=53$ and approximately linear Stark energy shifts, resulting from induced electric dipole moments of approximately 7900 D, have been…
We study the linear response to time-dependent probes of a symmetry-protected topological phase of bosons in one-dimension, the Haldane insulator (HI). This phase is separated from the ordinary Mott insulator (MI) and density-wave (DW)…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. In homonuclear molecular ions the electric dipole $E1$ transitions are…
Growing astronomical interest in phosphorous (P) chemistry is stimulating the search for new interstellar P-bearing molecules; a task requiring detailed knowledge of the microwave and infrared molecular spectrum. In this work, we present…
The time-development of photoexcitations in molecular aggregates exhibits specific dynamics of electronic states and vibrational wavefunction. We discuss the dynamical formation of entanglement between electronic and vibrational degrees of…
Nontrivial properties of electronic states in topological insulators are inherent not only to the surface and boundary states, but to bound states localized at structure defects as well. We clarify how the unusual properties of the…
Diffuse interstellar bands (DIBs) are absorption features commonly observed in optical/near-infrared spectra of stars and thought to be associated with polyatomic molecules that comprise a significant reservoir of organic material in the…
Highly mismatched alloys (HMA's) are a class of semiconductor alloys with large electronegativity differences between the alloying elements. We predict the absorption spectrum due to transitions between the split bands of a doped highly…
It is commonly believed that electromagnetic spectra of atoms and molecules can be fully described by interactions of electric and magnetic multipoles. However, it has recently become clear that interactions between light and matter also…
We develop a fully quantum mechanical methodology to describe the static properties and the dynamics of a single anharmonic vibrational mode interacting with a quantized infrared cavity field in the strong and ultrastrong coupling regimes.…
We report results of a theoretical investigation of hyperfine interactions in two homonuclear isotopologues of the hydrogen molecule: H$_{2}$ and D$_{2}$. We present a set of hyperfine coupling constants: spin-rotation, spin-spin dipole…
Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO,…
The absorption sites and the low-lying rotational and vibrational (RV) energy states for H$_2$ adsorbed within a metal-organic framework are calculated via van der Waals density functional theory. The induced dipole due to bond stretching…