Erratum: “Intermolecular potential energy surface and second virial coefficients for the water–CO2 dimer” [J. Chem. Phys. 134, 134309 (2011)] | Zendy

Richard J. Wheatley | Zendy; Allan H. Harvey | Zendy

Open Access

Erratum: “Intermolecular potential energy surface and second virial coefficients for the water–CO2 dimer” [J. Chem. Phys. 134, 134309 (2011)]

Author(s) -

Richard J. Wheatley,

Allan H. Harvey

Publication year - 2016

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 - 10.1063/1.4967488

Subject(s) - virial coefficient , dimer , intermolecular force , surface (topology) , thermodynamics , water dimer , virial theorem , computational chemistry , materials science , chemistry , physics , quantum mechanics , mathematics , hydrogen bond , molecule , organic chemistry , geometry , galaxy

The potential energy surface provided in the supplementary material of Ref. 1 is a different fit to that used to calculate the virial coefficient data, although they are consistent within their uncertainties and there is no scientific reason to prefer one over the other. Modified versions of Tables I and II are given here for consistency, using the fit in the supplementary material. The notation is the same as in the original work. Changes in the figures are insignificant, and the conclusions are unaffected. We thank David Kofke and Andrew Schultz for helping to resolve this discrepancy, and Ian Bell for assistance in producing the revised Table I.

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