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 +39,7 @@ mathpazo,xcolor,bm,mhchem,inputenc,fontenc,txfonts}\>\"", "}"}]}]}], "]"}], CellChangeTimes->{{3.7288240181604652`*^9, 3.728824027007351*^9}, { 3.733131339213026*^9, 3.733131352923026*^9}, {3.797008990917596*^9, 3.797008999040923*^9}}, - CellLabel->"In[4]:=",ExpressionUUID->"ac5d519b-06f4-49c4-86a7-701dc41bd48c"], + CellLabel->"In[1]:=",ExpressionUUID->"ac5d519b-06f4-49c4-86a7-701dc41bd48c"], Cell[BoxData[ 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"Input",ExpressionUUID->"88b83480-ff85-479c-9bd5-86e50cd48da6"], +Cell[1891, 59, 680, 15, 52, "Input",ExpressionUUID->"88b83480-ff85-479c-9bd5-86e50cd48da6"], Cell[CellGroupData[{ -Cell[2597, 78, 8458, 195, 801, "Input",ExpressionUUID->"f0f1eea9-20b9-48df-9572-c510784075b4"], -Cell[11058, 275, 249985, 4667, 584, "Output",ExpressionUUID->"0080b349-a956-436a-9e89-cbf8fba8e208"] +Cell[2596, 78, 8477, 195, 801, "Input",ExpressionUUID->"f0f1eea9-20b9-48df-9572-c510784075b4"], +Cell[11076, 275, 252285, 4718, 571, "Output",ExpressionUUID->"15909890-dc0f-4e50-95c3-d23624e6076a"] }, Open ]], Cell[CellGroupData[{ -Cell[261080, 4947, 7980, 203, 896, "Input",ExpressionUUID->"0daea3d8-8f63-4ebd-ba0f-4b294d15916e"], -Cell[269063, 5152, 965, 16, 34, "Output",ExpressionUUID->"4af98236-7429-48f3-8c69-fd1e7a81b573"], -Cell[270031, 5170, 966, 16, 34, "Output",ExpressionUUID->"d1443f2e-ad35-46e8-b4b6-0b26f9ad49fe"], -Cell[271000, 5188, 190572, 3479, 565, "Output",ExpressionUUID->"b5fb8b3e-98e9-4826-b6c8-086a78d5ce2f"] +Cell[263398, 4998, 7976, 202, 896, "Input",ExpressionUUID->"0daea3d8-8f63-4ebd-ba0f-4b294d15916e"], +Cell[271377, 5202, 1014, 16, 34, "Output",ExpressionUUID->"e9e7b203-abc5-46e6-bf51-b64777586661"], +Cell[272394, 5220, 1010, 16, 34, "Output",ExpressionUUID->"e7b125ca-e7df-4500-87fc-f8287f7803e7"], +Cell[273407, 5238, 191018, 3487, 565, "Output",ExpressionUUID->"028ce764-886b-44d1-908e-47e4940c741f"] }, Open ]], Cell[CellGroupData[{ -Cell[461609, 8672, 3056, 87, 140, "Input",ExpressionUUID->"421fb6d3-9953-44a8-b64c-0ae5b3f17148"], -Cell[464668, 8761, 1387, 36, 34, "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 0.00031397 diff --git a/benzene_noS2_local.dat b/benzene_noS2_local.dat index 4a704ab..19cd51f 100644 --- a/benzene_noS2_local.dat +++ b/benzene_noS2_local.dat @@ -22,3 +22,4 @@ 10485760 -231.49751473 -231.56256801 0.00032228 -231.56190078 0.00031897 20971520 -231.50871375 -231.56470650 0.00027492 -231.56422301 0.00027255 41943040 -231.51912209 -231.56741913 0.00023958 -231.56706916 0.00023784 + 83886080 -231.52856773 -231.57008385 0.00019908 -231.56983219 0.00019787 diff --git a/fig1a.pdf b/fig1a.pdf index f3fe591..b250c33 100644 Binary files a/fig1a.pdf and b/fig1a.pdf differ diff --git a/fig1b.pdf b/fig1b.pdf index bf2ddda..5d8d9f7 100644 Binary files a/fig1b.pdf and b/fig1b.pdf differ