Molecules and Radicals

16O3 Accurate Ab Initio Dipole Moment Surfaces. Comparison of ν 1 Strongest Line Intensities from Empirical HITRAN Data with Their Ab Initio Calculated Values

Abstract

This chapter provides the accurate ab initio dipole moment surfaces and comparison of ν 1 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.

Cite this page

References (5)

About this content

Title
16O3 Accurate Ab Initio Dipole Moment Surfaces. Comparison of ν 1 Strongest Line Intensities from Empirical HITRAN Data with Their Ab Initio Calculated Values
Book Title
Molecular Constants Mostly from Infrared Spectroscopy
Book DOI
10.1007/978-3-662-57960-2
Chapter DOI
10.1007/978-3-662-57960-2_143
Part of
Molecules and Radicals
Volume
20C2
Editors
  • Guy Guelachvili (3)
  • Editor Affiliation
  • 3 Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Univ. Paris-Saclay, Orsay, France
  • Authors
  • Guy Guelachvili (4)
  • Nathalie Picqué (5)
  • Author Affiliation
  • 4 Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Univ. Paris-Saclay, Orsay, France
  • 5 Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Univ. Paris-Saclay, Orsay, France
  • Cite this content

    Citation copied