[molpro-user] Spectroscopic Constants

Łukasz Miądowicz l.miadowicz at gmail.com
Tue Dec 14 17:13:54 GMT 2010


Please see this in the manual:


and also you can see previous discussion here:



2010/12/13 Nathan Wells <nwells01 at qub.ac.uk>

> Is there a command for calculating the following spectroscopic constants:
> Anharmonicity
> Rotational Constants
> Centrifugal Distortion
> I am currently using Molpro.2009 and can't find reference to these in the
> manual. It may be that I am just not seeing them. Any help would be
> appreciated.
> Regards
> Nathan Wells
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> Molpro-user at molpro.net
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Department of Theoretical Physics and Quantum Informatics
Faculty of Applied Physics and Mathematics
Gdansk University of Technology
ul. Gabriela Narutowicza 11/12
80-233 Gdansk, Poland
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