Related papers: Variational calculations on the hydrogen molecular…
We calculate rovibrational energy levels of H$_2$O using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational coupling terms. In a second step, we employ a variant of the…
The fundamental vibrational interval of H$_{2}^+$ has been determined to be $\Delta G _{1/2} = 2191.126\,614(17)$ cm$^{-1}$ by continuous-wave laser spectroscopy of Stark manifolds of Rydberg states of H$_2$ with the H$_{2}^+$ ion core in…
A procedure is described for the precise nonrelativistic evaluation of the dipole polarizabilities of H_2^+ and D_2^+ that avoids any approximation based on the size of the electron mass relative to the nucleus mass. The procedure is…
The variational procedure to construct compact and accurate wave functions for three-electron atoms and ions is developed. The procedure is based on the use of six-dimensional gaussoids written in the relative four-body coordinates $r_{12},…
We propose a novel mechanism of electron localization and molecular symmetry breaking in dissociative photoionization of the H$_2$ molecule. The Coulomb field of the ejected electron can induce transition of the remaining H$_2^+$ ion from…
State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground…
Precision spectroscopy on cold molecules can potentially enable novel tests of fundamental laws of physics and alternative determination of some fundamental constants. Realizing this potential requires a thorough understanding of the…
Total energies and other bound state properties of the weakly-bound (1,1)-states and rotationally excited (2,0)-states in the three-body muonic molecular $d d \mu, d t \mu$ and $t t \mu$ ions are determined to high numerical accuracy and…
Simple analytic formulae for energy relaxation (ER) in electron-ion systems, with quantum corrections, ion dynamics and RPA-type screening are presented. ER in the presence of bound electrons is examined in view of of recent simulations for…
Advanced techniques for manipulation of internal states, standard in atomic physics, are demonstrated for a charged molecular species for the first time. We address individual hyperfine states of ro-vibrational levels of a diatomic ion by…
A comparative study of the effect of a static homogeneous electric field on the rovibrational spectra of several polar dimers in their $\textrm{X}^1\Sigma^+$ electronic ground state is performed. Focusing upon the rotational ground state…
The current constraint on the electron electric dipole moment ($e$EDM), $|d_e|<4.1\times 10^{-30}$ ${e {\cdotp} {\rm cm}}$ (90\% confidence), was recently established using the trapped $^{180}$Hf$^{19}$F$^+$ molecular ions in the $J=1$…
We calculate the electromagnetic corrections to the isospin invariant mixing angle and to the two eigenphases for the $s$-, $p_{1/2}$- and $p_{3/2}$-partial waves for $\pi^- p$ elastic and charge exchange scattering. These corrections have…
We calculate the energies of ground and three low lying excited states of confined helium atom centered in an impenetrable spherical box. We perform the calculation by employing variational method with two-parameter variational forms for…
We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to…
The photoelectron spectrum of water has been recorded in the vicinity of the ${\mathrm {\tilde A^+}}$ $\leftarrow$ $\tilde{\mathrm{X}}$ transition between 112 000 and 116 000 cm$^{-1}$ (13.89-14.38 eV). The high-resolution allowed the…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…
We present tables for the bound-state energies for atomic hydrogen. The tabulated energies include the hyperfine structure, and thus this work extends the work of Rev. Mod. Phys. {\bf 84}, 1527 (2012), which excludes hyperfine structure.…
The electronic structure of the hydrogen molecule in a magnetic field is investigated for parallel internuclear and magnetic field axes. The lowest states of the $\Pi$ manifold are studied for spin singlet and triplet$(M_s = -1) $ as well…
We calculate the nonadiabatic relativistic correction to rovibrational energy levels of H$_2$, D$_2$, and HD molecules using the nonadiabatic perturbation theory. This approach allows one to obtain nonadiabatic corrections to all the…