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 Title: A Theoretical Ro-vibrational Line List Of H2cs Using A New Approach To Construct The Exact Kinetic Energy Operator Author(s): Mellor, Thomas Contributor(s): Yurchenko, Sergei N. Subject(s): Linelists Abstract: A procedure to generate the exact kinetic energy operator in valence coordinates, based on S{\o}rensen's method for constructing non-rigid Hamiltonians, is presented. This method is currently being applied to the thioformaldehyde (H$_{2}$CS) molecule, where the TROVE program is used to compute ro-vibrational energy levels and transition intensities. Moreover, the \textit{ab initio} PES is refined with the MARVEL approach. The exact kinetic energy operator itself is produced using the symbolic computation program \textit{Mathematica} and acts as TROVE input. Issue Date: 2021-06-22 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/111544 Date Available in IDEALS: 2021-09-24
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