The Roles Of Computational Quantum Chemistry In Astronomy

Abstract

At present time computational quantum chemistry has reached to the equal status as experimental techniques in all branches of chemistry. It is widely accepted as a standalone science. What achievements have been gained by letting this stranger come into the house of astronomy? Here is one famous example: Astronomical infrared spectra contain features, called unidentified infrared emission (UIE) bands. Different classes of organic molecules proposed for interpretation of the origin of these bands. These are polyaromatic hydrocarbons(PAH), Hydrogenated PAH, Nitrogenated PAH and Oil fragments and the MAONs. Computational quantum chemistry methodologies are applied to these models to test all these hypotheses and provide the deep insight into the molecular origin of UIE bands. In this talk I will show more examples of the roles of computational quantum chemistry in astronomy and share the experiences and thoughts that have been developed in our Laboratory during the past