Symmetry-based method for the derivation of the vibration–rotation kinetic energy operator and energy levels calculation of carbonyl fluoride from a new ab initio potential energy surface
Author:
Affiliation:
1. Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, Russian Academy of Sciences, Tomsk, Russian Federation
Funder
ANR-RNF TEMMEX
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2285029
Reference90 articles.
1. Theabinitiocalculation of the vibrational‐rotational spectrum of triatomic systems in the close‐coupling approach, with KCN and H2Ne as examples
2. A comment on a recent proposal for the calculation of vibrational energies in the general triatomic molecule
3. A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules
4. A general treatment of vibration-rotation coordinates for triatomic molecules
5. Vector parametrization of the three-atom problem in quantum mechanics
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