Published March 14, 2018 | Version Version 31
Preprint Open

Semi-empirical ground-state potential of carbon monoxide with physical behavior in the limits of small and large inter-atomic separations

Authors/Creators

  • 1. Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Leninskie gory 1/3, Russia
  • 2. The Institute of Problems of Chemical Physics, Russian Academy of Sciences, Prospect Akademika Semenova 1, 142432 Chernogolovka, Russia
  • 3. Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, 60 Garden St, Cambridge, MA 02138, USA

Description

Uploaded by E.S. Medvedev, 14 March 2018

This is a preliminary version of the paper by V.V. Meshkov, A.V. Stolyarov, A.Yu. Ermilov, E.S. Medvedev, V.G. Ushakov, and I.E. Gordon, "Semi-empirical ground-state potential of carbon monoxide with physical behavior in the limits of small and large interatomic separations" to be submitted to J. Chem. Phys. (in preparation).

During the work, several versions of the model potential were created denoted as U1, U2, etc. Here, U5 is presented, with which calculations were performed in the paper by E.S. Medvedev and V.G. Ushakov, "High sensitivity of the anomalies in the rotational and ro-vibrational bands of carbon monoxide to small changes in the molecular potential and dipole moment" (2018, submitted to J. Chem. Phys.).

Notes

This work is financially supported by the Russian Foundation for Basic Research (grant No. 16-03-00526a). IEG contribution is supported by the NASA Planetary Data Archiving and Restoration Tools (PDART, grant No. NNX16AG51G).

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Paper CO PEF draft31 with U5 Zenodo.zip

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