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Spectroscopy from Space pp 317–339Cite as

Dream or Reality: Complete Basis Set Full Configuration Interaction Potential Energy Hypersurfaces

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Part of the book series: NATO Science Series ((NAII,volume 20))

Abstract

All knowledge about molecules outside of our solar system comes from study of their spectra. Although laboratory measurements are usually the prime source for the data needed to interpret astronomical observations, there are a number of reasons why theory has played, and will continue to play, a central role in the study of molecules in space.

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Authors and Affiliations

  1. Department of Theoretical Chemistry, Eötvös University, P. O. Box 32, H-1518, Budapest 112, Hungary

    Attila G. Császár & György Tarczay

  2. Sandia National Laboratory, MS 9217, Livermore, CA, 94551-0969, USA

    Matthew L. Leininger

  3. Department of Physics and Astronomy, University College London, Gower St., London, WC1E 6BT, UK

    Oleg L. Polyansky & Jonathan Tennyson

  4. Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, GA, 30602, USA

    Wesley D. Allen

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  1. CNRS, Université de Lille I, Lille, France

    Jean Demaison

  2. Comenius University, Bratislava, Slovakia

    Kamil Sarka

  3. Jet Propulsion Laboratory, California Institute of Technology, Pasadena, USA

    Edward A. Cohen

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Császár, A.G., Tarczay, G., Leininger, M.L., Polyansky, O.L., Tennyson, J., Allen, W.D. (2001). Dream or Reality: Complete Basis Set Full Configuration Interaction Potential Energy Hypersurfaces. In: Demaison, J., Sarka, K., Cohen, E.A. (eds) Spectroscopy from Space. NATO Science Series, vol 20. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0832-7_19

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