Related papers: ClF diatomic molecule: rovibrational spectra
First-principles density-functional calculations within the local-density approximation and the pseudopotential approach are used to study and characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In accord with…
In a molecule subjected to no external fields, motion of nuclei is governed by a function V of nuclear coordinates. This function (potential energy) is a sum of two terms: Coulomb repulsion between nuclei and the electronic effective…
We demonstrate significantly improved magneto-optical trapping of molecules using a very slow cryogenic beam source and RF modulated and DC magnetic fields. The RF MOT confines $1.1(3) \times 10^5$ CaF molecules at a density of $4(1) \times…
The nucleus 49Cr has been studied analysing gamma-gamma coincidences in the reaction 46Ti(alpha,n)49Cr at the bombarding energy of 12 MeV. The level scheme has been greatly extended at low excitation energy and several new lifetimes have…
We obtain the following analytical formula which describes the dependence of the electric potential of a point-like charge on the distance away from it in the direction of an external magnetic field B: \Phi(z) = e/|z| [ 1-…
The 4503 rovibronic term values belonging to the mutually perturbed $A^1\Sigma^+_u$ and $b^3\Pi_u$ states of Cs$_2$ were extracted from laser induced fluorescence (LIF) $A\sim b\rightarrow X^1\Sigma^+_g$ Fourier transform spectra with the…
Calcite has recently attracted extensive research interest in fields ranging from geoscience to carbon dioxide removal. Although much effort has been made to study the (2x1) reconstruction of the most stable (104) surface, the origin of…
All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm$^{-1}$ beyond the zero-point vibrational energy with the GENIUSH-Smolyak variational approach and using an ab initio potential…
Long range electrostatic and van der Waals coefficients up to terms of order R-8 have been evaluated by the sum over states method using ab initio and time dependent density functional theory. We employ several widely used density…
According to the Schiff theorem, the atomic electrons completely screen the atomic nucleus from an external static electric field. However, this is not the case if the field is time-dependent. Electronic orbitals in atoms either shield the…
The calculation of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different symmetries is systematized for the case when the rotational angular momentum $J$ is a good quantum number. One goal of…
We report first ab initio relativistic correlation calculations of potential curves for ten low-lying electronic states, effective electric field on the electron and hyperfine constants for the ^3\Delta_1 state of cation of a heavy…
Cs$_2$ Rydberg-ground molecules consisting of a Rydberg, $nD_{J}$ (33 $\leq$ $n$ $\leq$ 39), and a ground state atom, 6$S_{1/2} (F=$3 or 4$)$, are investigated by photo-association spectroscopy in a cold atomic gas. We observe vibrational…
The long-range interaction of excited neutral atoms has a number of interesting and surprising properties, such as the prevalence of long-range, oscillatory tails, and the emergence of numerically large can der Waals C_6 coefficients.…
By means of vibrational spectroscopy and density functional theory (DFT), we investigate CO adsorption on phosphorene-based systems. We find stable CO adsorption at room temperature on both phosphorene and bulk black phosphorus. The…
Aluminium monofluoride (AlF) is a promising candidate for laser cooling and trapping at high densities. We show efficient production of AlF in a bright, pulsed cryogenic buffer gas beam, and demonstrate rapid optical cycling on the Q…
The main motivation for this work is the exploration of rotational-vibrational states corresponding to electronic excitations in a pre-Born-Oppenheimer quantum theory of molecules. These states are often embedded in the continuum of the…
We present the first broadband lambda = 1 mm spectrum toward the z=2.56 Cloverleaf Quasar, obtained with Z-Spec, a 1-mm grating spectrograph on the 10.4-meter Caltech Submillimeter Observatory. The 190-305 GHz observation band corresponds…
The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an…
We report ab initio relativistic correlation calculations of potential curves and electric dipole transition moments for ten low-lying electronic states, effective electric field on the electron, hyperfine constants and radiative lifetimes…