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We present a unified variational treatment of the magnetic dipole matrix elements, Einstein coefficients and line strength for general open-shell diatomic molecules in the general purpose diatomic code Duo. Building on previous work in…
We study the optical absorption of arrays of quantum dots and antidots in a perpendicular homogeneous magnetic field. The electronic system is described quantum mechanically using a Hartree approximation for the mutual Coulomb interaction…
We investigate the electron transfer from a dissociatively adsorbed H2 molecule to a Au(111) surface using the first-principles methods. A fractional electron transfers from a molecule to a substrate, and potential energy increases during…
In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is…
Absorption lines from molecular hydrogen ($\rm H_2$) in the spectra of background sources are a powerful probe of the physical conditions in intervening cold neutral medium. At high redshift, $z>2$, $\rm H_2$ lines are conveniently shifted…
Lyman and Werner band absorption features from interstellar molecular hydrogen in rotational levels J = 0, 1, 2, 3 and 5 were observed in the spectrum of zeta Ori A by the Interstellar Medium Absorption Profile Spectrograph (IMAPS). Most of…
The sources behind numerous key diffuse interstellar bands (DIBs) remain elusive, and thus evidence is presented here that a family of seven anionic hydrogen atomic clusters (H(-)2n+1, n = 1 to 7) are pertinent contributors. Configuration…
We discuss how to construct a tight binding model Hamiltonan for the simplest possible solid, composed of hydrogen-like atoms. A single orbital per atom is not sufficient because the on-site electron-electron repulsion mixes in higher…
We study nonlinear inter-subband microwave absorption of electrons bound to the liquid helium surface. Already for a comparatively low radiation intensity, resonant absorption due to transitions between the two lowest subbands is…
The effect of intermolecular interactions on intensity redistribution between individual electronic transitions in different polymorphs of fluorene and dibenzofuran was studied by transmittance electronic spectroscopy in the energy range…
The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…
The interaction between electromagnetic microwaves (40-200 GHz) and superfluid helium in a stationary electric field has been investigated experimentally. It is found that the narrow line of resonance absorption at the roton frequency is…
Accurately described excitonic properties of transition metal dichalcogenide heterobilayers (HBLs) are crucial to comprehend the optical response and the charge carrier dynamics of them. Excitons in multilayer systems posses inter or…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
Electronic structure of HCl+ and HBr+ molecular ions is calculated using the symmetry-adapted-cluster configuration interaction (SAC-CI) method. In this paper, we analyse dipole moments (DM) for a series of low-lying six 2Pi-states and…
Dual fluorescence in 4-(dimethylamino)benzonitrile (DMABN) and its derivatives in polar solvents has been studied extensively for the past several decades. An intramolecular charge transfer (ICT) minimum on the excited state potential…
We have used the ionisation equilibrium equation to derive the electron density in interstellar clouds in the direction to 13 stars. A linear relation was found, that allows the determination of the electron density from the Mg I and Mg II…
We consider theoretically magnetic dipole mechanism of the IR-light absorption at intersubband transitions in wide-gap quantum wells (QW). In contrast to the electric dipole resonance, discussed mechanism manifests in the interaction with…
We consider the survival of solid H2 in the diffuse interstellar medium, with application to grains which are small enough to qualify as dust. Consideration of only the thermal aspects of this problem leads to the familiar conclusion that…
Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…