From 24030ae7465b5156be7cf39766db9c98b51359b3 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Thu, 26 Mar 2020 10:13:52 +0100 Subject: [PATCH] updated data extrapolated CIPSI --- new/data_on_top/data | 4 ++-- new/data_on_top/data_on_top_he | 13 ++++++++----- 2 files changed, 10 insertions(+), 7 deletions(-) diff --git a/new/data_on_top/data b/new/data_on_top/data index 698c8b9..2b282df 100644 --- a/new/data_on_top/data +++ b/new/data_on_top/data @@ -6,11 +6,11 @@ N2 0.58771 0.32983 0.51397 0.29114 N 0.17232 0.09811 0.12742 0.07343 ------------- ---------- ------------------------- avtz -N2 0.59162 0.38506 0.46139 +N2 0.59162 0.38506 0.46139 0.30537 N 0.17302 0.11315 0.11173 0.07414 ------------- ---------- ------------------------- avqz -N2 0.59242 0.42006 0.41934 +N2 0.59242 0.42006 0.41934 0.29991 N 0.17307 0.12333 0.10612 0.07582 ============= ==================================== ============= ==================================== diff --git a/new/data_on_top/data_on_top_he b/new/data_on_top/data_on_top_he index 1358e26..3efeffc 100644 --- a/new/data_on_top/data_on_top_he +++ b/new/data_on_top/data_on_top_he @@ -1,5 +1,8 @@ -2 0.0923958578 0.1459066223 -3 0.0959555096 0.1317695551 -4 0.0985284264 0.1245439997 -5 0.0999959169 0.1205162598 -6 0.1009493221 0.1179716647 +# FCI-extrap FCI +2 0.0923958578 0.1459066223 +3 0.0959555096 0.1317695551 +4 0.0985284264 0.1245439997 +5 0.0999959169 0.1205162598 +6 0.1009493221 0.1179716647 +10000000 0.1063453708 0.1063453708 +