Erratum: “Hard sphere radial distribution function again” [J. Chem. Phys. 123, 024501 (2005)]

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Hard-sphere radial distribution function again.

A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint...

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Comment on "Dynamic ion association in aqueous solutions of sulfate" [J. Chem. Phys. 123, 034508 (2005)].

The "dynamic exchange" model of ion association proposed by Watanabe and Hamaguchi, [J. Chem. Phys.123, 034508 (2005)] for aqueous solutions of MgSO4 is shown to be inconsistent with the extensive information available from Raman, relaxation, and thermodynamic studies, all of which can be explained by the Eigen equilibrium model.

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Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].

The connection between the exact quasirelativistic approach developed in the title reference [W. Kutzelnigg and W. Liu, J. Chem. Phys. 123, 241102 (2005)] and the method of elimination of the small component in matrix form developed previously by Dyall is explicitly worked out. An equation that links Hermitian and non-Hermitian formulations of the exact quasirelativistic theory is derived. Besi...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2006

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.2188941