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Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states...

Authors :
Fellers, R.S.
Braly, L.B.
Saykally, R.J.
Leforestier, C.
Source :
Journal of Chemical Physics; 4/1/1999, Vol. 110 Issue 13, p6306, 13p, 14 Diagrams, 11 Charts
Publication Year :
1999

Abstract

Part II. Reports on the fully coupled six-dimensional calculations of the water dimmer vibration-rotation-tunneling (VRT) states with split Wigner pseudospectral (SWPS) approach. Feasible tunneling motions of the water dimmer and how they are manifested in the microwave and VRT spectra; Overview on the SWPS method and improvements applied to water dimmer.

Details

Language :
English
ISSN :
00219606
Volume :
110
Issue :
13
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4358931
Full Text :
https://doi.org/10.1063/1.478535