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Results tagged with exchange-correlation
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user 4794
Questions concerning exchange-correlation terms in materials modeling calculations.
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Evaluating Coulomb and exchange integrals in practice using cartesian coordinates [closed]
Many software packages provide means to calculate the Coulomb and exchange integrals, for example, the exchange
$$\int \phi^*(1) \, \psi^*(2) \frac{1}{|\mathbf{r_1} - \mathbf{r_2}|} \, \psi(1) \, \phi …
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