81 citations · 205 across the 5 of their papers we have counts for
6 papers
Highly accurate HF dimer ab initio potential energy surface
Roman I. Ovsyannikov, Vladimir Yu. Makhnev, Nikolai F. Zobov +2
A very accurate, (HF) potential energy surface (PES) is constructed based on \ai\ calculations performed using the MOLPRO package at the CCSD(T) level of theory with an aug-cc-…
Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface
Oleg L. Polyansky, Roman I. Ovsyannikov, Jonathan Tennyson +4
A very accurate, (HF) potential energy surface (PES) due to Huang et al. (J. Chem. Phys., 150, 154302 (2019)) is used to calculate the energy levels of the HF dimer by solving…
Accurate prediction of HO and DO sensitivity coefficients to probe a variable proton-to-electron mass ratio
Alec Owens, Sergei N. Yurchenko, Oleg L. Polyansky +3
The mass sensitivity of the vibration-rotation-inversion transitions of HO, HO, and DO is investigated variationally using the nuclear…
Symmetry adapted ro-vibrational basis functions for variational nuclear motion calculations: TROVE approach
Sergei N. Yurchenko, Andrey Yachmenev, Roman I. Ovsyannikov
We present a general, numerically motivated approach to the construction of symmetry adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based…
ExoMol molecular line lists XIX: high accuracy computed hot line lists for HO and HO
Oleg L. Polyansky, Aleksandra A. Kyuberis, Lorenzo Lodi +4
Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a…
ExoMol line lists XV: A new hot line list for hydrogen peroxide
Ahmed F. Al-Refaie, Oleg L. Polyansky, Roman I. Ovsyannikov +2
A computed line list for hydrogen peroxide, HO, applicable to temperatures up to ~K is presented. A semi-empirical high accuracy potential energy surface is…