diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index 72989ff..d98314d 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -897,8 +897,12 @@ As a direct consequence of this linearity, LIM and MOM do not provide any noticeable improvement on the excitation energy. Nonetheless, the excitation energy is still off by $3$ eV. -The fundamental theoretical reason of such a poor agreement is not clear. -The fact that HF exchange yields better excitation energies hints at the effect of self-interaction error. +The fundamental theoretical reason of such a poor agreement is not clear but it might be that, in this strongly correlated regime, +the weight-dependent correlation functional plays a significant +role not caught by our approximation. +%The fact that MOM using the HF exchange yields better energies +%than with local exchange is mostly due to cancellation of error. +%The fact that HF exchange yields better excitation energies hints at %the effect of self-interaction error. For additional comparison, we provide the excitation energy calculated by short-range multiconfigurational DFT in Ref.~\onlinecite{Senjean_2015}, using the (weight-independent) srLDA functional \cite{Toulouse_2004} and setting the range-separation parameter to $\mu = 0.4$ bohr$^{-1}$. The excitation energy improves by $1$ eV compared to the weight-independent SVWN5 functional, thus showing that treating the long-range part of the electron-electron repulsion by wave function theory plays a significant role.