Water on the Sun: line assignments based on variational calculations.

Details Water on the Sun: line assignments based on variational calculations. Water on the Sun: line assignments based on variational calculations.

Jul 1997

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1997sci...277..346p&link_type=abstract

Science, Vol. 277, No. 5324, p. 346 - 348

Physics

43

Sunspots: Infrared Spectra, Sunspots: Water, Sunspots: Temperatures

Scientific paper

The infrared spectrum of hot water observed in a sunspot has been assigned. The high temperature of the sunspot (3200K) gave rise to a highly congested pure rotational spectrum in the 10-μm region that involved energy levels at least halfway to dissociation. Traditional spectroscopy, based on perturbation theory, is inadequate for this problem. Instead, accurate variational solutions of the vibration-rotation Schrödinger equation were used to make assignments, revealing unexpected features, including rotational difference bands and fewer degeneracies than anticipated. These results indicate that a shift away from perturbation theory to first principles calculations is necessary in order to assign spectra of hot polyatomic molecules such as water.

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