7 papers
Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces
Ayaki Sunaga, Albert P. Bartók, Edit Mátyus
Electric dipole and polarizability surfaces are developed for the methanol (CHOH) molecule using ab initio electronic structure data, computed at the CCSD/aug-cc-pVTZ level of…
Orders-of-magnitude improvement in precision spectroscopy of an inner-shell orbital clock transition in neutral ytterbium
Taiki Ishiyama, Koki Ono, Hokuto Kawase +6
An inner-shell orbital clock transition in neutral ytterbium atoms has attracted much attention as a new optical frequency standard a…
Rotational Splittings in Diatomic Molecules of Interest to Searches for New Physics
Ayaki Sunaga, Timo Fleig
Diatomic molecules with an energetically low-lying state are attractive platforms to detect new physics beyond the Standard Model, such as parity- and time-reversal viola…
Excluding Hypothetical Light Boson Interpretation of Yb King Plot Nonlinearity with the Isotope Shift Measurement
Taiki Ishiyama, Koki Ono, Reiji Asano +6
We present precision spectroscopy and isotope shift measurement of the clock transition in neutral ytterbium () atoms. By revealing a…
Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
Ayaki Sunaga, Tibor GyÅri, Gábor Czakó +1
The methanol molecule is a sensitive probe of astrochemistry, astrophysics, and fundamental physics. The first-principles elucidation and prediction of its rotation-torsional-vibra…
Theoretical determination of the ionization potentials of ScF, YF, LaF and AcF
Aleksandra A. Kyuberis, Lukas F. Pasteka, Ephraim Eliav +4
We present a comprehensive theoretical study of the ionization potentials of the MF (M = Sc, Y, La, Ac) molecules using the state-of-the-art relativistic coupled cluster approach w…