Open AccessAccurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to CO(AΠ1)
Author(s) -
A. J. C. Varandas
Publication year - 2007
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.2768356
Subject(s) - extrapolation , scaling , asymptote , basis set , spurious relationship , limit (mathematics) , statistical physics , ab initio , computational physics , physics , chemistry , computational chemistry , mathematics , quantum mechanics , mathematical analysis , statistics , density functional theory , geometry
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