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      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

      Author(s): , , , , ,
      Publication date Created:
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      Journal: The Journal of Chemical Physics
      Publisher: AIP Publishing

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          Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

          John P Perdew, Wang Yue (1986)
          Article 0 comments Cited 788 times – based on 0 reviews     Review now
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            Relativistic regular two‐component Hamiltonians

            E. van Lenthe, E J Baerends, J. G. Snijders (1993)
            Article 0 comments Cited 697 times – based on 0 reviews     Review now
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              Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

              Krzysztof Woliński, James F. Hinton, Peter Pulay (1990)
              Article 0 comments Cited 612 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Title: The Journal of Chemical Physics
                Abbreviated Title: The Journal of Chemical Physics
                Publisher: AIP Publishing
                ISSN (Print): 0021-9606
                ISSN (Electronic): 1089-7690
                Publication date Created: March 14 2008
                Publication date (Print): March 14 2008
                Volume: 128
                Issue: 10
                Page: 104101
                Article
                DOI: 10.1063/1.2837472
                PubMed ID: 18345871
                SO-VID: f51efb40-cd0a-4967-9a35-b910105db4d6
                Copyright © © 2008
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