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12:09 AM
< 48 hours, 90 views, 8 upvotes, 5 upvotes on answer, not HNQ:
8
Q: How is the Bloch equation derived?

Paulie BaoI am reading a textbook on many-electron theory, which gives a Bloch equation in its generalized form: $$\tag{1} [\Omega,H_0]P=Q(V\Omega-\Omega V_{eff})P, $$ where $P$ denotes the projection from exact state to a model state: $$\tag{2} P\mid \psi^{(\alpha)}\rangle=\mid \psi_0^{(\alpha)}\rangle, $...

 
12:46 AM
6
Q: How does libxc calculate the potential of GGA?

FirmanIf the GGA xc energy is defined as $$ E_{xc}[n] = \int n(\mathbf{r}) \varepsilon_{xc}[n(\mathbf{r}), \nabla n(\mathbf{r})]\ d\mathbf{r}, $$ the potential can be written as $$ V_{xc}[n] = \varepsilon_{xc} + n\frac{\partial \varepsilon_{xc}}{\partial n} - \nabla\cdot\left[n\frac{\partial \varepsilo...

 

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