Comment on "A spherical cavity model for quadrupolar dielectrics" [J. Chem. Phys. 144, 114502 (2016)]
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Volume
146
Publisher
DOI
10.1063/1.4979717
Journal
JOURNAL OF CHEMICAL PHYSICS
Issue
ISSN
0021-9606
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Recently, a spherical cavity (Onsager) model for quadrupolar dielectrics has been proposed and used to calculate the macroscopic quadrupolarizabilities of several common solvents.1 In this Comment, one of the boundary conditions used in Ref. 1 (for continuity of the displacement field) is revised to account for the surface displacement field that occurs at non-homogeneously polarized interfaces. We show that the revised condition leads to more reasonable results.