Ab initio potential energy surface and rovibrational energies of H3O+ and its isotopomers

Journal of Chemical Physics

Volumn 118, Issue 12, 2003, Pages 5431-5441

  Huang, Xinchuan ^a   Carter, Stuart ^b   Bowman, Joel ^a  

^a EMORY UNIVERSITY   (United States)

^b UNIVERSITY OF READING   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER AIDED SOFTWARE ENGINEERING; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; HYDROGEN BONDS; KINETIC ENERGY; LEAST SQUARES APPROXIMATIONS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; POSITIVE IONS; POTENTIAL ENERGY;

AB INITIO POTENTIAL ENERGY SURFACE; ISOTOPOMERS; ROVIBRATIONAL ENERGY; SOFTWARE PACKAGE MULTIMODE;

HYDROGEN INORGANIC COMPOUNDS;

EID: 0344951107     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555974     Document Type: Article

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