VIJKL

This file stores the bare Coulomb integrals

$V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' \frac{ w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')}{|{\bf r}-{\bf r}'|}$

The format is as follows:

# V_ijkl = [ij,R|kl,0] 
#  I   J   K   L          RE(V_IJKL)          IM(V_IJKL)
   1   1   1   1       14.4576272582        0.0000000000
   2   1   1   1        0.0000010313        0.0000031049
 ...

Related files

UIJKL,URijkl,VRijkl

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