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Details of Grant 

EPSRC Reference: GR/R47776/01
Title: Rotation-vibration spectra of small molecules
Principal Investigator: Tennyson, Professor J
Other Investigators:
Researcher Co-Investigators:
Dr O Polyansky
Project Partners:
Department: Physics and Astronomy
Organisation: UCL
Scheme: Standard Research (Pre-FEC)
Starts: 01 October 2001 Ends: 30 September 2004 Value (£): 235,851
EPSRC Research Topic Classifications:
Scattering & Spectroscopy
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
Spectral accuracy for the vibration-rotation levels of small molecules of better than 1 cm -1 cannot be achieved using standard methods based on the Born-Oppenheimer approximation. We will include adiabatic, non-adiabatic, electronic, relativistic (both kinetic and potential), qed and nuclear spin coupling effects in our treatment of the nuclear motion. Unassigned spectra of HzO, HDO and D20 will be analysed and assigned, including laser transitions recently observed in Hz0 and DzO. Estimates will be made of ortho-para conversion effects in water and possible experimental measurements modelledData, particularly for water, will be made freely available to other scientists.
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