fix issue with phi
This commit is contained in:
parent
933ac80e32
commit
f4e3c55acc
@ -391,6 +391,7 @@ The MP$n$ energy is defined as
|
||||
E_{\text{MP}n}= \sum_{k=0}^n E^{(k)},
|
||||
\end{equation}
|
||||
where $E^{(k)}$ is the $k$th-order correction.
|
||||
\titou{$n$ is the number of electrons and here you use it as something else...}
|
||||
The MP0 energy overestimates the energy by double counting the electron-electron interaction and is equal to the sum of the occupied orbital energies, i.e.,
|
||||
\begin{equation}
|
||||
E_{\text{MP0}} = \sum_i^n \epsilon_i.
|
||||
|
Loading…
Reference in New Issue
Block a user