From fee079153b2b0a5f19ab142df67fb14773da928c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Thu, 10 Sep 2020 16:54:36 +0200 Subject: [PATCH] Use standard LaTeX in subsets --- content/subsets.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/content/subsets.md b/content/subsets.md index 39265ec2..69d21565 100644 --- a/content/subsets.md +++ b/content/subsets.md @@ -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, {{< 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 QUEST database provides theoretical best estimates (TBEs) for more than 470 highly-accurate excitation energies of various natures (valence, Rydberg, {{< tex "n \rightarrow \pi^\star" >}}, {{< tex "\pi \rightarrow \pi^\star" >}}, 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: