PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-22 18:57:38 +02:00
Code Releases Activity

Using tex shortcode from https://latkin.org/blog/2016/08/07/better-tex-math-typesetting-in-hugo

Browse Source
This commit is contained in:
Mickaël Véril 2020-09-10 16:44:45 +02:00
parent f4404732b9
commit c08b57cbaa
2 changed files with 17 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
content/subsets.md
View File

@ -4,7 +4,7 @@ date: 2020-09-10 15:00
draft: false
---
The QUEST database provides theoretical best estimates (TBEs) for more than 470 highly-accurate excitation energies of various natures (valence, Rydberg, $n \ra \pis$, $\pi \ra \pis$, singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene.
The QUEST database provides theoretical best estimates (TBEs) for more than 470 highly-accurate excitation energies of various natures (valence, Rydberg, {{< tex "n \ra \pis" >}}, {{< tex "\pi \ra \pis" >}}, singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene.
The molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.
The QUEST dataset of vertical excitations is composed by 5 subsets:

16
layouts/shortcodes/tex.html Normal file
View File

@ -0,0 +1,16 @@
<span class="jsonly">
{{ if .IsNamedParams }} <!-- display mode, wrap eqn with $$ $$-->
$${{ .Get "display" }}$$
{{ else }} <!-- inline mode, wrap eqn with \( \)-->
\({{ .Get 0 }}\)
{{ end }}
</span>
<noscript>
{{ if .IsNamedParams }} <!-- display mode -->
<div style="text-align:center;">
<img src="https://latex.codecogs.com/gif.latex?{{ .Get "display" }}" title="{{ .Get "display" }}" />
</div>
{{ else }} <!-- inline mode -->
<img style="display:inline;vertical-align:middle;" src="https://latex.codecogs.com/gif.latex?\inline&space;{{ .Get 0 }}" title="{{ .Get 0 }}" />
{{ end }}
</noscript>