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A two-centre implementation of the Douglas–Kroll transformation in relativistic calculations

Actinides Electronic Structure - Methods

Publication Details

  • Authors: L. Gagliardi, N.C. Handy, A.G. Ioannou, C.-K. Skylaris, S. Spencer, A. Willetts, and A.M. Simper
  • Publication Number: 9
  • Year: 1998
  • Journal: Chem. Phys. Lett.
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Full Citation

L. Gagliardi, N.C. Handy, A.G. Ioannou, C.-K. Skylaris, S. Spencer, A. Willetts, and A.M. Simper, A two-centre implementation of the Douglas–Kroll transformation in relativistic calculations, Chem. Phys. Lett., 1998, 283, 187–193. DOI: 10.1016/S0009-2614(97)01346-8