Related papers: Spectroscopy of YO from first principles
The double ionization potential (DIP) equation-of-motion (EOM) coupled-cluster (CC) method with a full treatment of 4-hole-2-particle (4$h$-2$p$) correlations and triply excited clusters, abbreviated as DIP-EOMCCSDT(4$h$-2$p$), and its…
We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like…
We employ two-photon spectroscopy to study the vibrational states of the triplet ground state potential ($a^3\Sigma^+$) of the $^{23}$Na$^{6}$Li molecule. Pairs of Na and Li atoms in an ultracold mixture are photoassociated into an excited…
The spectroscopic properties of Li atom and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming the plasma is of low density and very hot, we consider the Debye model…
Utilizing a simplified quantum model approach, the low-energy inelastic collision processes between yttrium atoms (ions) and hydrogen atoms have been studied. Rate coefficients corresponding to the mutual neutralization, ion-pair formation,…
Echo-based spectroscopy of the superhyperfine interaction of an electronic spin with nuclear spins in its surroundings enables detailed insights into the microscopic magnetic environment of spins in solids. Still, it is an outstanding…
Studies of ion-molecule reactions at low temperatures are difficult because stray electric fields in the reaction volume affect the kinetic energy of charged reaction partners. We describe a new experimental approach to study ion-molecule…
Only a few weakly-bound complexes containing the O2 molecule have been characterized by high resolution spectroscopy, no doubt due to the complications added by the oxygen molecule's unpaired electron spin. Here we report an extensive…
We perform two-photon photoassociation spectroscopy of the heteronuclear CsYb molecule to measure the binding energies of near-threshold vibrational levels of the $X~^{2}\Sigma_{1/2}^{+}$ molecular ground state. We report results for…
We demonstrate precision laser spectroscopy of a trapped $^{173}$Yb$^+$ ion that is not directly laser cooled by coupling it to ultracold atoms. The atomic bath continuously cools the internal degrees of freedom of the ion to its hyperfine…
We present a neutron triple-axis and resonant spin-echo spectroscopy study of the spin correlations in untwinned YBCO crystals with x= 0.3, 0.35, and 0.45 as a function of temperature and magnetic field. As the temperature T approaches 0,…
High-spin rotational bands in rare-earth Er ($Z=68$), Tm ($Z=69$) and Yb ($Z=70$) isotopes are investigated by three different nuclear models. These are (i) the cranked relativistic Hartree-Bogoliubov (CRHB) approach with approximate…
The spectral properties of a multilevel atomic system interacting with multiple electromagnetic fields, a modified inverted-Y system, have been theoretically investigated. In this study, a numerical matrix propagation method has been…
We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…
Spectroscopic techniques are very essential tools in studying electronic structures, spectroscopic constants and energetic properties of diatomic molecules. These techniques are also required for parametrization of new method based on…
We use tunneling spectroscopy to study the evolution of few-electron spin states in parallel InAs nanowire double quantum dots (QDs) as a function of level detuning and applied magnetic field. Compared to the much more studied serial…
Intermediate-mass young stellar objects (YSOs) provide a link to understand how feedback from shocks and UV radiation scales from low to high-mass star forming regions. Aims: Our aim is to analyze excitation of CO and H$_2$O in…
We study theoretically interaction potentials and low energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems like X + Y$^{+}$, where X(Y$^{+})$ is either Li(Cs$^+$) or Cs(Li$^+$), Na(Cs$^+$) or…
A variational model for the infra-red spectrum of VO is presented which aims to accurately predict the hyperfine structure within the VO $\mathrm{X}\,^4\Sigma^-$ electronic ground state. To give the correct electron spin splitting of the…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…