The density sensitivity (S) for a given XC functional is the energy diﬀerence between total (or reaction) energy between HF and LDA density. Equation 4 should have been corrected to (Formula Presented).
|Number of pages||1|
|Journal||Journal of Physical Chemistry Letters|
|Publication status||Published - 2020 Oct 1|
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All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Physical and Theoretical Chemistry