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16O3 Accurate Ab Initio Dipole Moment Surfaces. Comparison of ν1 Strongest Line Intensities from Empirical HITRAN Data with Their Ab Initio Calculated Values

  • Guy Guelachvili
  • Nathalie Picqué
Chapter
Part of the Molecules and Radicals book series (volume 20C2)

Abstract

This chapter provides the accurate ab initio dipole moment surfaces and comparison of ν1 strongest line intensities from empirical HITRAN data with their ab initio calculated values of 16O3 measured using the MRCI-SD method with three basis sets on a dense grid of about 1950 geometrical configurations.

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Guy Guelachvili
    • 1
  • Nathalie Picqué
    • 2
  1. 1.Institut des Sciences Moléculaires d’Orsay (ISMO)CNRS, Univ. Paris-Sud, Univ. Paris-SaclayOrsayFrance
  2. 2.Institut des Sciences Moléculaires d’Orsay (ISMO)CNRS, Univ. Paris-Sud, Univ. Paris-SaclayOrsayFrance

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