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Results tagged with exchange-correlation
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user 5364
Questions concerning exchange-correlation terms in materials modeling calculations.
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Why Kohn-Sham equations are regarded as single-particle equations?
The Kohn-Sham equations are given by:
$$
\left(-\frac{\hbar^2}{2m} \nabla_{i}^{2}+V_{s}\left(\hat{\boldsymbol{r}}_{i}\right)+V_{H}\left(\hat{\boldsymbol{r}}_{i}\right)+V_{X C}\left(\hat{\boldsymbol{r} …
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