VRijkl: Revision history

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28 March 2025

27 March 2025

26 March 2025

  • curprev 16:0216:02, 26 March 2025‎ Kaltakm talk contribs‎ 754 bytes +40‎ No edit summary
  • curprev 16:0216:02, 26 March 2025‎ Kaltakm talk contribs‎ 714 bytes +714‎ Created page with "This file stores the off-centre Coulomb integrals ::<math> 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}+{\bf R}) w_{l}^{\sigma'}({\bf r}+{\bf R})}{|{\bf r}-{\bf r}'|} </math> The format is as follows: # V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) # R: 1 0.000000 0.000000 0.000000 1 1 1 1 14.4576272582..."
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