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Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” [J. Chem. Phys. 122, 234314 (2005)]; and “A computational study of some electric and magnetic properties of gaseous and ” [J. Chem. Phys. 123, 114307 (2005)]
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1.A. J. Thorvaldsen, K. Ruud, A. Rizzo, and S. Coriani (unpublished).
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Figures

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FIG. 1.

The temperature dependence of the CME of as computed here, compared to the experiment. The labels “aTZ” and “d-aTZ” stand for aug-cc-pVTZ and daug-cc-pVTZ, respectively.

Tables

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Table I.

. CME at . Anisotropy at . All data in a.u., with in . is defined as observed for an induction field of 1 T and a pressure of 1 atm.

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Table II.

Dynamic second electric-dipole hyperpolarizability and mixed electric-dipole hypersusceptibilities (see text for definitions). Atomic units, .

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Table III.

Linear birefringences of . . Atomic units except where noted.

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Table IV.

CME and BE for at and . Atomic units, with in cgs units of . is the birefringence defined for an induction field of 1 T and a pressure of 1 atm according to Ref. 17. for Buckingham birefringence is given for a pressure of and EFG of .

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Table V.

CME and BE for at and . Atomic units, with in cgs units of . is the birefringence defined for an induction field of 1 T and a pressure of 1 atm according to Ref. 17. for Buckingham birefringence is given for a pressure of and EFG of .

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2008-07-15
2014-04-24

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Scitation: Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” [J. Chem. Phys. 122, 234314 (2005)]; and “A computational study of some electric and magnetic properties of gaseous BF3 and BCl3” [J. Chem. Phys. 123, 114307 (2005)]
http://aip.metastore.ingenta.com/content/aip/journal/jcp/129/3/10.1063/1.2946699
10.1063/1.2946699
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