21 citations · 31 across the 5 of their papers we have counts for
5 papers
ExoMol line lists -- LI. Molecular line list for lithium hydroxide (LiOH)
Alec Owens, Sam O. M. Wright, Yakiv Pavlenko +4
A new molecular line list for lithium hydroxide (LiOH) covering wavelengths m (the 0-10000 cm range) is presented. The OYT7 line list contains ove…
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…
Computer-predicted ionization energy of carbon within 1 cm of the best experiment
Nike Dattani, Giovanni LiManni, David Feller +1
We show that we can predict the first ionization energy of the carbon atom to within 0.872 cm of the experimental value. This is an improvement of more than a factor of 6.5…
Variational calculation of highly excited rovibrational energy levels of H2O2
Oleg L. Polyansky, Igor N. Kozin, Roman I. Ovsyannikov +4
Results are presented for highly accurate ab initio variational calculation of the rotation - vibration energy levels of H2O2 in its electronic ground state. These results use a re…