Related papers: The Zero-Quantum-Defect Method and the Fundamental…
The nonrelativistic variational calculation of a complete set of ro-vibrational states in the H$_2^+$ molecular ion supported by the ground $1s\sigma$ adiabatic potential is presented. It includes both bound states and resonances located…
The ^1{\Sigma}^+ electronic ground states of MgLi^+ and CaLi^+ molecular ions are investigated for their spectroscopic constants and properties such as the dipole- and quadrupole moments, and static dipole polarizabilities. The quadrupole…
Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the $X ^{1}\Sigma_{g}^{+}, v=0$ vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the…
The non-relativistic three-body Schr\"odinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or…
We present absolute-frequency measurements for the transitions from the 6s$_{1/2}$ ground state of $^{133}$Cs to $n$p$_{1/2}$ and $n$p$_{3/2}$ Rydberg states. The transition frequencies are determined by one-photon UV spectroscopy in…
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 present a comprehensive analysis of all currently available high-accuracy frequency measurements of rotational and rovibrational transitions in the hydrogen molecular ion HD$^+$. Our analysis utilises the theoretically calculated…
Raman measurements performed on dense H2, D2 and H2+D2 in a wide pressure-temperature range reveal the presence of the {\Delta}J=0 rotational excitation. In the gas/fluid state this excitation has zero Raman shift, but in the solid, the…
Recently a high precision spectroscopic investigation of the EF^1\Sigma_g^+ - X^1\Sigma_g^+ system of molecular hydrogen was reported yielding information on QED and relativistic effects in a sequence of rotational quantum states in the…
The present work reports the spectroscopic parameters and molecular properties for the ground electronic state, $^1\Sigma^+$, of CdH$^+$, HgH$^{+}$, and YbH$^{+}$ molecular ions. We have used the state-of-the-art relativistic coupled…
By performing constant-pressure variable-cell ab initio molecular dynamics simulations we find a quadrupolar orthorhombic structure, of $Pca2_1$ symmetry, for the broken symmetry phase (phase II) of solid H2 at T=0 and P =110 - 150 GPa. We…
Rotationally resolved spectra of the C$^2\Sigma^+$-X$^2\Pi$ electronic system of the CH radical were measured using cavity ring-down spectroscopy in supersonically expanding, planar hydrocarbon plasma. The experimental conditions allowed…
The fundamental 28SiH+ ion has been characterized in a collaborative work, utilizing a hollow-cathode-discharge laser-spectrometer and a cryogenic ion trap spectrometer. Twenty-three vibration-rotation transitions around 4.75 um have been…
The possible use of high-resolution rovibrational spectroscopy of the hydrogen molecular ions H + 2 and HD + for an independent determination of several fundamental constants is analyzed. While these molecules had been proposed for…
The R(1), R(3) and P(3) ro-vibrational transitions in the (2-0) overtone band of the HD molecule are measured in Doppler-free saturation using the technique of NICE-OHMS spectroscopy. For the P(3) line, hitherto not observed in saturation,…
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…
We investigated the effect of deuteration on the vibrational ground state of the hydrated hydroxide anion using a nine-dimensional quantum dynamical model for the case of J=0. The propagation of the nuclear wave function has been performed…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
Molecular helium represents a benchmark system for testing $\textit{ab initio}$ calculations on few-electron molecules. We report on the determination of the adiabatic ionization energy of the $a\,^3\Sigma_u^+$ state of He$_2$,…
The electronic, rotational, and vibrational components of the ultrafast optical nonlinearity in H$_2$ and D$_2$ are measured directly and absolutely at intensities up to the ionization threshold of $\sim$10$^{14}$ W/cm$^2$. As the most…