Related papers: Spectroscopy of YO from first principles
Empirical line lists for the open shell molecule $^{89}$Y$^{16}$O (yttrium oxide) and its isotopologues are presented. The line lists cover the 6 lowest electronic states: $X {}^{2}\Sigma^{+}$, $A {}^{2}\Pi$, $A' {}^{2}\Delta$, $B…
We report an ab initio study on the rovibronic spectroscopy of the closed-shell diatomic molecule phosphorous mononitride, PN. The study considers the nine lowest electronic states, $X\,{}^{1}\Sigma^{+}$, $A\,{}^{1}\Pi$,…
Complex molecular structure demands customized solutions to laser cooling by extending its general set of principles and practices. Yttrium monoxide (YO) has unique intramolecular interactions. The Fermi-contact interaction dominates over…
We demonstrate the mixing of rotational states in the ground electronic state using microwave radiation to enhance optical cycling in the molecule yttrium (II) monoxide (YO). This mixing technique is used in conjunction with a frequency…
The spectra (rotational, rotation-vibrational or electronic) of diatomic molecules due to transitions involving only closed-shell ($^1\Sigma$) electronic states follow very regular, simple patterns and their theoretical analysis is usually…
Efficient sub-Doppler laser cooling and optical trapping of YO molecules offer new opportunities to study collisional dynamics in the quantum regime. Confined in a crossed optical dipole trap, we achieve the highest phase-space density of…
We present a unified variational treatment of the magnetic dipole matrix elements, Einstein coefficients and line strength for general open-shell diatomic molecules in the general purpose diatomic code Duo. Building on previous work in…
We report an investigation of the low-lying excited states of the YbF molecule--a candidate molecule for experimental measurements of the electron electric dipole moment--with 2-component based multi-reference configuration interaction…
We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb$_2$ molecule, respectively, focusing on their ground and lowest-lying electronically excited states. Our study includes various…
We report on measurements of the binding energies of several weakly bound vibrational states of the paramagnetic $^{174}$Yb$^{6}$Li molecule in the electronic ground state using two-photon spectroscopy in an ultracold atomic mixture…
We report three-dimensional trapping of an oxide molecule (YO), using a radio-frequency magneto-optical trap (MOT). The total number of molecules loaded is $\sim$1.5$\times10^4$ , with a temperature of 7(1)~mK. This diversifies the frontier…
The model of coherent quadrupole and octupole motion (CQOM) is applied to describe non-yrast split parity-doublet spectra in odd-mass nuclei. The yrast levels are described as low-energy rotation-vibration modes coupled to the ground…
Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation. In the NEO approach, specified nuclei, typically protons,…
We propose high-spin $\Sigma$-state polar molecules assembled from ultracold atoms to probe charge-parity violating physics beyond the Standard Model. We identify YbCr as a prime candidate to search for the electric dipole moment of the…
The electronic structure of the ICl+ molecular ion is investigated by using high-level multireference configuration interaction (MRCI) method. To improve computational accuracy, Davidson corrections, spin-orbit coupling (SOC), and…
Duo is a general, user-friendly program for computing rotational, rovibrational and rovibronic spectra of diatomic molecules. Duo solves the Schr\"{o}dinger equation for the motion of the nuclei not only for the simple case of uncoupled,…
Rare earth ions in crystals exhibit narrow spectral features and hyperfine-split ground states with exceptionally long coherence times. These features make them ideal platforms for quantum information processing in the solid state.…
We observe long-range $^{85}$Rb and $^{87}$Rb (24$D$+5$S_{1/2}$) Rydberg molecules for eight different spin couplings, with binding energies up to 440~MHz and sub-percent relative uncertainty. Isotopic effects of the molecular binding…
In order to study ultracold charge-transfer processes in hybrid atom-ion traps, we have mapped out the potential energy curves and molecular parameters for several low lying states of the Rb, Yb$^+$ system. We employ both a multi-reference…
A reduced-complexity variant of equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) method is formulated in terms of state-averaged excited state pair natural orbitals (PNO) designed to describe manifolds of excited states.…