Convergence testing of the analytic representation of an ab initio dipole moment function for water: improved fitting yields improved intensities

Journal of Chemical Physics

Volumn 113, Issue 16, 2000, Pages 6592-6597

  Schwenke, David W ^a   Partridge, Harry ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; DATABASE SYSTEMS; ELECTRONS; FUNCTIONS; HYDROGEN; INTERPOLATION; LAGRANGE MULTIPLIERS; STATISTICAL MECHANICS; WATER;

AB INITIO DIPOLE MOMENT FUNCTION; CORE ELECTRON CORRELATION; DIPOLE MOMENT SURFACE;

ELECTRONIC STRUCTURE;

EID: 0034296627     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1311392     Document Type: Article

References (13)

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3. L. P. Giver, personal communication.
4. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning et al.
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12. O. Naumenko, E. Bertseva, A. Campargue, and D. W. Schwenke, J. Mol. Spectrosc. 201. 297 (2000).
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