From edb4bca3ddcce4a6ca5b4ec733dd5d894b4a7ae3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Tue, 12 Nov 2019 19:20:59 +0100 Subject: [PATCH] keep only one exp --- static/data/abs/dinitrogen_Exp.$^b$_Litt..dat | 21 ------------------- ...Exp.$^a$_Litt..dat => dinitrogen_exp..dat} | 10 ++++----- 2 files changed, 5 insertions(+), 26 deletions(-) delete mode 100644 static/data/abs/dinitrogen_Exp.$^b$_Litt..dat rename static/data/abs/{dinitrogen_Exp.$^a$_Litt..dat => dinitrogen_exp..dat} (82%) diff --git a/static/data/abs/dinitrogen_Exp.$^b$_Litt..dat b/static/data/abs/dinitrogen_Exp.$^b$_Litt..dat deleted file mode 100644 index f0407014..00000000 --- a/static/data/abs/dinitrogen_Exp.$^b$_Litt..dat +++ /dev/null @@ -1,21 +0,0 @@ -# Molecule : Dinitrogen -# Comment : -# code : -# method : Exp.$^b$,Litt. -# geom : -# DOI : - -# Initial state Final state Energies (eV) -####################### ####################### ############### -# Spin Number Symm Spin Number Symm E_abs - 1 1 A_1 1 1 \Pi_g 9.31 - 1 1 A_1 1 1 \Sigma_u^- 9.92 - 1 1 A_1 1 1 \Delta_u 10.27 - 1 1 A_1 1 1 \Sigma_g^+ 12.2 - 1 1 A_1 1 1 \Pi_u 12.9 - 1 1 A_1 1 1 \Sigma_u^+ 12.98 - 1 1 A_1 2 1 \Pi_u 13.24 - 1 1 A_1 1 3 \Sigma_u^+ 7.75 - 1 1 A_1 1 3 \Pi_g 8.04 - 1 1 A_1 1 3 \Delta_u 8.88 - 1 1 A_1 1 3 \Sigma_u^- 9.67 diff --git a/static/data/abs/dinitrogen_Exp.$^a$_Litt..dat b/static/data/abs/dinitrogen_exp..dat similarity index 82% rename from static/data/abs/dinitrogen_Exp.$^a$_Litt..dat rename to static/data/abs/dinitrogen_exp..dat index 527c5d8e..fa6c28ce 100644 --- a/static/data/abs/dinitrogen_Exp.$^a$_Litt..dat +++ b/static/data/abs/dinitrogen_exp..dat @@ -1,9 +1,9 @@ # Molecule : Dinitrogen -# Comment : -# code : -# method : Exp.$^a$,Litt. -# geom : -# DOI : +# Comment : Absorption energies of the dinitrogen molecule +# code : experimental +# method : experimental. +# geom : experimental +# DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Energies (eV) ####################### ####################### ###############