comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-29 06:35:28 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Docs: Some minor touch ups

Browse source
This commit is contained in:
Ole Schütt 2024-07-21 14:47:51 +02:00 • committed by Ole Schütt
parent 3d7ab457d1
commit 6c3f55cdf6
3 changed files with 46 additions and 38 deletions
Download patch file Download diff file Expand all files Collapse all files

7
docs/methods/sampling/ehrenfest.md
View file

@ -516,8 +516,9 @@ excited state for the Oxygen 1s is degenerate: there are two available excited s
the $xy$-plane. That is why a third projection is requested which uses the other excited state
proposed by the XAD_TDP module. Therefore, the excited state should be understood as the sum over
the two equivalent excited states:
\$$
$$
n_{Exc}(t) = \rho_{\omega}(t) + \rho_{\omega'}(t)
$$
where $\\omega'$ stands for the other equivalent excited state, with $\\omega=\\omega'=529\$
eV.
where $\omega'$ stands for the other equivalent excited state, with $\omega=\omega'=529$ eV.