A New Scheme For the Self-Interaction-Correction
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    Abstract:

    A new self-interaction-correction method is presented in which the shells of the same angular quantum number 1 share one self-interaction-corrected potential. The described method keeps the one-electron eigenfunctions of the same 1 in orthogonal to each other. The results of the practical calculations are better than that of the Xa method and the single averaged self-interaction-correction method.

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Yuan Jianmin. A New Scheme For the Self-Interaction-Correction[J]. Journal of National University of Defense Technology,1988,10(1):87-92.

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History
  • Received:August 05,1987
  • Revised:
  • Adopted:
  • Online: August 18,2017
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