fix issue with phi

This commit is contained in:
Pierre-Francois Loos 2020-07-28 17:59:31 +02:00
parent 933ac80e32
commit f4e3c55acc

View File

@ -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.