Related papers: Ortho-para transition in molecular hydrogen
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…
We report in this review recent fully-quantum time-independent calculations of cross sections and rate constants for the gas phase ortho-to-para conversion of H$_2$ by H and H$^+$. Such processes are of crucial interest and importance in…
We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation,…
The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…
Stark effect is calculated by the perturbation theory method separately for the ortho and para water molecules. At room temperature, a 30%-difference in the energy change is found for the two species put in electric field. This implies a…
We study the sensitivity of the microwave and submillimeter transitions of the isotopologues of hydronium to the variation of the electron-to-proton mass ratio mu. These sensitivities are enhanced for the low frequency mixed…
We determine the sensitivity to a possible variation of the proton-to-electron mass ratio \mu for torsion-wagging-rotation transitions in the ground state of methylamine (CH3NH2). Our calculation uses an effective Hamiltonian based on a…
The ortho-to-para ratio (OPR) of H$_2$O is thought to be sensitive to the temperature of water formation. The OPR of H$_2$O is thus useful to study the formation mechanism of water. We investigate the OPR of water in the Orion PDR…
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…
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…
We consider the possibility that solid molecular hydrogen is present in interstellar space. If so cosmic-rays and energetic photons cause ionisation in the solid leading to the formation of H6+. This ion is not produced by gas-phase…
We extend our previous studies on phase IV of solid hydrogen by employing larger cells and k-sampling. We show that uncorrelated hexagonal rotations in the weakly bounded G"-layers are needed to account for the experimentally measured Raman…
Molecular hydrogen is a benchmark system for bound state quantum calculation and tests of quantum electrodynamical effects. While spectroscopic measurements on the stable species have progressively improved over the years, high resolution…
Analytical approximations are constructed for binding energies, quantum-mechanical sizes and oscillator strengths of main radiative transitions of hydrogen atoms arbitrarily moving in magnetic fields 10^{12}-10^{13} G. Examples of using the…
We present a measurement of the hydrogen $2$S$_{1/2}-8$D$_{5/2}$ transition performed with a cryogenic atomic beam. The measured resonance frequency is $\nu=770649561570.9(2.0)$ kHz, which corresponds to a relative uncertainty of…
Recent observation of several microwave transitions in H2O2 from the interstellar medium [Astron. Astrophys., 531, L8 (2011)] raised interest to this molecule as yet another sensitive probe of the tentative variation of the…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
We present the first accurate rate coefficients for the rotational excitation of CO by H2O in the kinetic temperature range 5-100 K. The statistical adiabatic channel method (SACM) is combined with a high-level rigid-rotor CO-H2O…
We calculate ionization energies and fundamental vibrational transitions for H$_2^+$, D$_2^+$, and HD$^+$ molecular ions. The NRQED expansion for the energy in terms of the fine structure constant $\alpha$ is used. Previous calculations of…
Extensive electronic structure calculations are performed to obtain the stable geometries of metals like Al, Ga and In on the Si(001) surface at 0.5 ML and 1 ML coverages. Our results coupled with previous theoretical findings explain the…