Speaker
Dr
Xinchuan Huang
(SETI/NASA Ames)
Description
The fast-growing infrared databases are still not complete or accurate enough to subtract the IR contributions of simple astrophysical molecules so that scientists may identify more "hidden flowers", or to carry out accurate IR simulations at very high temperature. Reasons include, but not limited to, the spectrum complexity, experimental difficulty, and the lack of robust theoretical models. In last 10 years, we have extended the "**Best Theory + High-resolution Experimental Data**" strategy from water to NH$_3$, CO$_2$, and SO$_2$. It allows us to combine the accuracy of experimental line positions with the consistency of high quality *ab-initio* theory. In this way, we have been able to make IR predictions with accuracy similar to what we have for the reproduction of existing data, i.e. 0.01${-}$0.02 cm$^{-1}$, for line positions and less than 10% for line intensity deviation. This means the generated IR lists may become reliable alternatives for missing IR bands or minor isotopologues. Recent experiments have verified the accuracy and consistency of our IR predictions. In this talk we will introduce the procedure of this strategy, present examples of verified IR data, and discuss both the advantages and current limitations of our approach. The computed IR data was also used to identify the defects and unreliable extrapolations of existing H_eff models, so it can help improve the opacity databases.
Primary author
Dr
Xinchuan Huang
(SETI/NASA Ames)
Co-authors
David Schwenke
(NASA Ames Research Center)
Timothy Lee
(NASA Ames Research Center)
