From a81c892d5dbf6572af72c9e9087457ccc47a980c Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sun, 23 Aug 2020 08:55:40 +0200 Subject: [PATCH] update 80M --- benzene.nb | 980 +++++++++++++++++++++++++++++++---------- benzene.tex | 1 + benzene_noS2.dat | 1 + benzene_noS2_local.dat | 1 + fig1a.pdf | Bin 42726 -> 43446 bytes fig1b.pdf | Bin 32326 -> 32477 bytes 6 files changed, 752 insertions(+), 231 deletions(-) diff --git a/benzene.nb b/benzene.nb index c7c7afd..74553cf 100644 --- a/benzene.nb +++ b/benzene.nb @@ -10,10 +10,10 @@ NotebookFileLineBreakTest NotebookFileLineBreakTest NotebookDataPosition[ 158, 7] -NotebookDataLength[ 472453, 8946] -NotebookOptionsPosition[ 470526, 8906] -NotebookOutlinePosition[ 470919, 8922] -CellTagsIndexPosition[ 470876, 8919] +NotebookDataLength[ 503255, 9464] +NotebookOptionsPosition[ 501286, 9424] +NotebookOutlinePosition[ 501679, 9440] +CellTagsIndexPosition[ 501636, 9437] WindowFrame->Normal*) (* Beginning of Notebook Content *) @@ -39,7 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"Output",ExpressionUUID->"3170656c-7d56-4438-8215-5fa585683aef"], -Cell[466058, 8799, 1388, 36, 34, "Output",ExpressionUUID->"704cdd9b-61d1-422d-b46c-65884f70cea7"], -Cell[467449, 8837, 3049, 65, 231, "Output",ExpressionUUID->"bf6ec708-fc30-46cd-9017-659d60369077"] +Cell[464462, 8730, 3056, 87, 140, "Input",ExpressionUUID->"421fb6d3-9953-44a8-b64c-0ae5b3f17148"], +Cell[467521, 8819, 1413, 37, 34, "Output",ExpressionUUID->"38e90f36-4461-4236-9161-ea15fee88f0e"], +Cell[468937, 8858, 1412, 37, 34, "Output",ExpressionUUID->"a77c6565-4783-4bf0-9293-780bbb73ac38"], +Cell[470352, 8897, 30906, 523, 229, 2585, 58, "CachedBoxData", "BoxData", "Output",ExpressionUUID->"eafdc5f6-d7c8-4f76-a2df-5ef836db863d"] }, Open ]] }, Open ]] } diff --git a/benzene.tex b/benzene.tex index 1242ca4..dc733c0 100644 --- a/benzene.tex +++ b/benzene.tex @@ -197,6 +197,7 @@ The statistical error on $E_\text{PT2}$, corresponding to one standard deviation 10\,485\,760 & $-231.461\,927$ & $-231.559\,390(481)$ & $-231.557\,796(474)$ & $-231.497\,515$ & $-231.562\,568(322)$ & $-231.561\,901(319)$ \\ 20\,971\,520 & $-231.474\,019$ & $-231.561\,315(430)$ & $-231.560\,063(424)$ & $-231.508\,714$ & $-231.564\,707(275)$ & $-231.564\,223(273)$ \\ 41\,943\,040 & $-231.487\,978$ & $-231.564\,529(382)$ & $-231.563\,593(377)$ & $-231.519\,122$ & $-231.567\,419(240)$ & $-231.567\,069(238)$ \\ + 83\,886\,080 & $-231.501\,334$ & $-231.566\,994(317)$ & $-231.566\,325(314)$ & $-231.528\,568$ & $-231.570\,084(199)$ & $-231.569\,832(198)$ \\ \end{tabular} \end{ruledtabular} \end{table*} diff --git a/benzene_noS2.dat b/benzene_noS2.dat index 39df862..25494a4 100644 --- a/benzene_noS2.dat +++ b/benzene_noS2.dat @@ -22,3 +22,4 @@ 10485760 -231.46192749 -231.55939032 0.00048147 -231.55779568 0.00047359 20971520 -231.47401920 -231.56131493 0.00043027 -231.56006331 0.00042410 41943040 -231.48797815 -231.56452866 0.00038159 -231.56359255 0.00037692 + 83886080 -231.50133354 -231.56699389 0.00031721 -231.56632483 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