Seven ortho rotational transitions have been recorded for the main isotopic species of water in the mil- limeter- and submillimeter-wave region using the Lamb-dip technique in order to resolve the hyperfine structure due to the hydrogens and to provide accurate hyperfine constants. The experimental determi- nation has been supplemented by high-level quantum-chemical calculations of the hyperfine parameters thereby focusing in particular on a systematic study of the basis-set convergence and on vibrational effects.

The hyperfine structure in the rotational spectrum of water: Lamb-dip technique and quantum-chemical calculations

CAZZOLI, GABRIELE;PUZZARINI, CRISTINA;
2009

Abstract

Seven ortho rotational transitions have been recorded for the main isotopic species of water in the mil- limeter- and submillimeter-wave region using the Lamb-dip technique in order to resolve the hyperfine structure due to the hydrogens and to provide accurate hyperfine constants. The experimental determi- nation has been supplemented by high-level quantum-chemical calculations of the hyperfine parameters thereby focusing in particular on a systematic study of the basis-set convergence and on vibrational effects.
2009
G. Cazzoli; C. Puzzarini; M. E. Harding; J. Gauss
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/85340
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