6533b7d5fe1ef96bd12650fe

RESEARCH PRODUCT

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

Jürgen GaussMichael E. HardingCristina PuzzariniGabriele Cazzoli

subject

Quantum chemicalChemistryRotational spectrumGeneral Physics and AstronomyMillimeterPhysics::Atomic PhysicsPhysical and Theoretical ChemistryAtomic physicsHyperfine structure

description

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.

yearjournalcountryeditionlanguage
2009-04-01
10.1016/j.cplett.2009.03.045http://hdl.handle.net/11585/85340