A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac–Kohn

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac–Kohn–Sham equation

Published:2008-03-14 Issue:10 Volume:128 Page:104101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Komorovský Stanislav,Repiský Michal,Malkina Olga L.,Malkin Vladimir G.,Malkin Ondík Irina,Kaupp Martin

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2837472

Reference68 articles.

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5. J. Vaara, P. Lantto, and P. Manninen,Perturbational and ECP Calculation of Relativistic Effects in Nuclear Shielding and Spin-Spin Coupling(Ref. 1), Chap. 13, pp. 209–226.

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