相关论文: ClF diatomic molecule: rovibrational spectra

Full-dimensional (12D) vibrational states of the methanol molecule (CH$_3$OH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bowman (2013). All vibrational energies are converged better…

We analyze the quantum-mechanical rotational excitation/de-excitation spectrum and cross sections of CN molecules during low and high-energy collisions with protons, H+. The problem is of significant importance in astrophysics of the early…

We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts. The transport properties are calculated using full…

We propose and test a pair potential that is accurate at all relevant distances and simple enough for use in large-scale computer simulations. A combination of the Rydberg potential from spectroscopy and the London inverse-sixth-power…

Rotationally-resolved Fourier-transform spectra of laser-induced fluorescence (LIF) $A^1\Sigma^+_u\sim b^3\Pi_u \rightarrow X^1\Sigma^+_g$ of K$_2$ molecules were recorded and analyzed yielding 4053 term values of spin-orbit (SO) coupled $A…

Recent progress in the applications of covariant density functional theory (CDFT) to the description of the spectroscopy of the heaviest nuclei is reviewed. The analysis of quasiparticle spectra in actinides and the heaviest A ~ 250 nuclei…

High-spin structure of $^{109}$In has been investigated with the $^{100}$Mo($^{14}$N, 5$n$)$^{109}$In reaction at a beam energy of 78 MeV using the in-beam $\gamma$ spectroscopic method. The level scheme of $^{109}$In has been modified…

Dipolar molecules in optical traps are a versatile platform for studying many-body phases of quantum matter in the presence of strong and long-range interactions. The dipolar interactions in such setups can be enabled by microwave driving…

We computed the long-range interactions between two identical polar bialkali molecules in their rovibronic ground level, for all ten species involving Li, Na, K, Rb and Cs, using accurate quantum chemistry results combined with available…

We report on the production, deceleration and detection of a SrF molecular beam. The molecules are captured from a supersonic expansion and are decelerated in the X$^2\Sigma^+ (v=0, N=1)$ state. We demonstrate the removal of up to 40% of…

Experiments have demonstrated that vibrational strong coupling between molecular vibrations and light modes can significantly change molecular properties, such as ground-state reactivity. Theoretical studies towards the origin of this…

Accurate absolute level energies of the $B\,^1\Sigma^{+}_{u}$, $v=0-8, N$ and $EF\,^{1}\Sigma^{+}_{g}$, $v=0-21, N$ rovibrational quantum states of molecular deuterium are derived by combining results from a Doppler-free two-photon laser…

We present a complete line list for the X 1Sigma+ electronic ground state of LiCl computed using fully quantum-mechanical techniques. This list includes transition energies and oscillator strengths in the spectral region 0.3-39,640.7 cm-1…

The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities,…

A prolate $\gamma$-rigid version of the Bohr-Mottelson Hamiltonian with a quartic anharmonic oscillator potential in $\beta$ collective shape variable is used to describe the spectra for a variety of vibrational-like nuclei. Speculating the…

We describe bound states, resonances and elastic scattering of light ions using a $\delta$-shell potential. Focusing on low-energy data such as energies of bound states and resonances, charge radii, asymptotic normalization coefficients,…

The polarisation labelling spectroscopy technique was applied to study the C$^1\Pi_{\mathrm{u}}$ $\leftarrow$ X$^1\Sigma^{+}_{\mathrm{g}}$ band system in potassium dimer. About 1100 new rotationally resolved molecular lines were measured in…

We demonstrate the coherent creation of a single NaCs molecule in its rotational, vibrational, and electronic (rovibronic) ground state in an optical tweezer. Starting with a weakly bound Feshbach molecule, we locate a two-photon transition…

We consider the N-body problem in a layered geometry containing cold polar molecules with dipole moments that are polarized perpendicular to the layers. A harmonic approximation is used to simplify the hamiltonian and bound state properties…

We calculate cohesive properties of LiF, NaF, KF, LiCl, NaCl, and KCl with ab-initio quantum chemical methods. The coupled-cluster approach is used to correct the Hartree-Fock crystal results for correlations and to systematically improve…