High-accuracy ab initio rotation-vibration transitions for water

Science

Volumn 299, Issue 5606, 2003, Pages 539-542

  Polyansky, Oleg L ^a,c   Császár, Attila G ^b   Shirin, Sergei V ^c   Zobov, Nikolai F ^c   Barletta, Paolo ^a   Tennyson, Jonathan ^a   Schwenke, David W ^d   Knowles, Peter J ^e  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c INSTITUTE OF APPLIED PHYSICS   (Russian Federation)

^d NASA AMES RESEARCH CENTER   (United States)

^e UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; EARTH ATMOSPHERE; ELECTRODYNAMICS; VAPORS;

ISOTOPOMERS;

WATER;

WATER;

SPECTRUM; VIBRATION; WATER VAPOR;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CALCULATION; ELECTRON; LIGHT ABSORPTION; MODEL; PREDICTION; PRIORITY JOURNAL; QUANTUM MECHANICS; ROTATION; TECHNIQUE; VIBRATION; WATER VAPOR;

EID: 0346034540     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1079558     Document Type: Article

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38. These calculations used the a 512 processor Origin3000 machine "Green" run by the Computer Services for Academic Research (CSAR) at the University of Manchester; we thank the staff members at CSAR for their help. We also thank the U.K. Engineering and Physical Science Research Council, the U.K. Natural Environment Research Council, the Royal Society, the British Council, the INTAS foundation, the Scientific Research Fund of Hungary (grant OTKA T033074), and the Russian Fund for Fundamental Studies, who supported this project.