From fb5144c508e7f9d8dd4e47bcc78187aa5b32eed6 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Thu, 30 Jan 2020 22:39:44 +0100 Subject: [PATCH] latest changes --- BSE-PES.tex | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/BSE-PES.tex b/BSE-PES.tex index 89ce87e..4e9932d 100644 --- a/BSE-PES.tex +++ b/BSE-PES.tex @@ -469,11 +469,11 @@ SI stands for singlet instability. RPA@{\GOWO}@HF & cc-pVDZ & 1.426 & 3.019 & 2.994 & 2.436 & 2.083 & 2.144 & 2.403 & 2.691 \\ & cc-pVTZ & 1.388 & 3.013 & glitch & 2.408 & 2.065 & 2.114 & glitch & glitch \\ & cc-pVQZ & 1.382 & 3.013 & & & & & & \\ - RPAx@HF & cc-pVDZ & 1.428 & 3.040 & 2.998 & 2.424 & 2.077 & 2.130 & 2.417 & SI \\ - & cc-pVTZ & 1.395 & 3.003 & 2.971 & 2.400 & 2.046 & 2.110 & 2.368 & \\ + RPAx@HF & cc-pVDZ & 1.428 & 3.040 & 2.998 & 2.424 & 2.077 & 2.130 & 2.417 & 2.611 \\ + & cc-pVTZ & 1.395 & 3.003 & 2.971 & 2.400 & 2.046 & 2.110 & 2.368 & 2.568 \\ & cc-pVQZ & 1.394 & 3.011 & & & & & & \\ RPA@HF & cc-pVDZ & 1.431 & 3.021 & 2.999 & 2.424 & 2.083 & 2.134 & 2.416 & 2.623 \\ - & cc-pVTZ & 1.388 & 2.978 & 2.939 & 2.396 & 2.045 & 2.110 & 2.362 & \\ + & cc-pVTZ & 1.388 & 2.978 & 2.939 & 2.396 & 2.045 & 2.110 & 2.362 & 2.579 \\ & cc-pVQZ & 1.386 & 2.994 & & & & & & \\ % FROZEN CORE VERSION % Method & Basis & \ce{H2} & \ce{LiH}& \ce{LiF}& \ce{N2} & \ce{CO} & \ce{BF} & \ce{F2} & \ce{HCl}\\