Computational interstellar chemistry

So Hirata, Peng Dong Fan, Martin Head-Gordon, Muneaki Kamiya, Murat Keçeli, Timothy J. Lee, Toru Shiozaki, Jan Szczepanski, Martin Vala, Edward F. Valeev, Kiyoshi Yagi

Research output: Contribution to journalConference articlepeer-review


Computational applications of electronic and vibrational many-body theories are increasingly indispensable in interpreting and, in some instances, predicting the spectra of gas-phase molecular species of importance in interstellar chemistry as well as in atmospheric and combustion chemistry. This chapter briefly reviews our methodological developments of electronic and vibrational many-body theories that are particularly useful for these gas-phase molecular problems. Their applications to anharmonic vibrational frequencies of triatomic and tetratomic interstellar molecules and to electronic absorption spectra of the radical ions of polycyclic aromatic hydrocarbons, which are ubiquitous in the interstellar medium, are also discussed.

Original languageEnglish (US)
Pages (from-to)21-30
Number of pages10
JournalAstrophysics and Space Science Proceedings
Issue number202569
StatePublished - 2010
EventInternational Conference on Recent Advances in Spectroscopy : Theoretical, Experimental, and Astrophysical Perspectives, 2009 - Kodaikanal, India
Duration: Jan 28 2009Jan 31 2009

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Computer Science Applications
  • Spectroscopy
  • Space and Planetary Science
  • Nuclear and High Energy Physics


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