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updated data extrapolated CIPSI

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This commit is contained in:
Emmanuel Giner 2020-03-26 10:13:52 +01:00
parent 47e666e832
commit 24030ae746
2 changed files with 10 additions and 7 deletions
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4
new/data_on_top/data
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@ -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
============= ====================================
============= ====================================

13
new/data_on_top/data_on_top_he
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@ -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