From 981def21a3fa6030d19fedd62d73572991ee5225 Mon Sep 17 00:00:00 2001 From: eginer Date: Fri, 29 Mar 2019 13:38:44 +0100 Subject: [PATCH] added extrapolated data and reorganized tab --- Manuscript/C2_FC_CBS | 22 ++++++++ Manuscript/G2-srDFT.pdf | Bin 476715 -> 476335 bytes Manuscript/G2-srDFT.tex | 118 ++++++++++++++++++++-------------------- 3 files changed, 80 insertions(+), 60 deletions(-) create mode 100644 Manuscript/C2_FC_CBS diff --git a/Manuscript/C2_FC_CBS b/Manuscript/C2_FC_CBS new file mode 100644 index 0000000..b9b7ee0 --- /dev/null +++ b/Manuscript/C2_FC_CBS @@ -0,0 +1,22 @@ +C2 HF VQZ : -75.4418923288476 +C2 FCI VQZ : -75.80245067 +C2 HF V5Z : -75.4429634919803 +C2 FCI V5Z : -75.80761254 + +Ecor V5Z : -0.3646490480197002 +Ecor VQZ : -0.36055834115239804 +Ecor CBS : -0.3689409371919517 +C2 CBS : -75.81190442917224 + + +C FCI VQZ : -37.78679899 +C FCI V5Z : -37.78876692 + +C HF VQZ : -37.6882984013147 +C HF V5Z : -37.6886428342691 + +Ecor V5Z : -0.10012408573089715 +Ecor 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