most citedStudy of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods

21 citations · 21 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2022★ 21 cited

Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods

Prakash Mishra, Yoh Yamamoto, J. Karl Johnson +3

We study the effect of self-interaction errors on the barrier heights of chemical reactions. For this purpose we use the well-known Perdew-Zunger [J. P. Perdew and A. Zunger, Phys.…