645 citations · 10.6k across the 156 of their papers we have counts for
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physics.chem-ph2014★ 19 cited
A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid
A. I. Pavlyuchko, S. N. Yurchenko, Jonathan Tennyson
Rotation-vibration spectra of the nitric acid molecule, HNO\3, are calculated for wavenumbers up to 7000~\cm. Calculations are performed using a Hamiltonian expressed in internal c…
physics.chem-ph2014★ 32 cited
Hybrid variation-perturbation method for calculating rovibrational energy levels of polyatomic molecules
A. I. Pavlyuchko, S. N. Yurchenko, Jonathan Tennyson
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The…