//
sign in
Post
by @danabra.mov
PostEmbed
by @danabra.mov
Record
by @jimpick.com
Record
by @atsui.org
+ new component
Post
Very excited to share this new vibe coding product. Electron Localization of Transition Excitations E.L.O.T.E. 😜 Get the MO & AO percentage contributions to each excited state in a single terminal line! Check our corresponding blog post & GitHub! #CompChem joaquinbarroso.com/2026/05/27/e...
24d
If you have ever run a TD-DFT calculation in Gaussian and stared at the output wondering exactly what each excited state is made of — which orbitals, on which atoms, with what percentage — this pos…
joaquinbarroso.com
ELOTE: Making Sense of Your TD-DFT Excited States
<Joaquin | Barroso>