Comment on "calculation of nuclear magnetic shieldings using an analytically differentiated relativistic shielding formula" [J. Chem. Phys. 123, 114102 (2005)]

Journal of Chemical Physics

Volumn 124, Issue 13, 2006, Pages

  Manninen, Pekka ^a,b   Vaara, Juha ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34547926396     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2181968     Document Type: Note

References (17)

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15. Professor Trond Saue (Strasbourg) has informed us of his results that indicate that most of the remaining difference between the results of Ref. and the numerical relativistic random-phase-approximation data reported in D. Kolb, W. R. Johnson, and P. Shorer, Phys. Rev. A 26, 19 (1982) arises from an unnecessarily loose convergence criterion employed in the former study in the solution of the linear response equations. This neither affects the conclusions of Ref. nor the present comparison of BP and DHF data with the results of Ref..
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