Initialization

HaToeV=27.21138602;

SetDirectory["~/Dropbox/Manuscripts/JPCL_Perspective/Data"];

Needs["MaTeX`"]
SetOptions[MaTeX,"Preamble"->{"\\usepackage{amssymb,amsmath,latexsym,amsfonts,amsthm,mathpazo,xcolor,bm,mhchem}"}];

TOC

WordCloud[{{"TDDFT",0.3},{"EOM-CCSD",0.1},{"CASPT2",0.2},{"NEVPT2",0.05},{"CIS(D)",0.1},{"CASSCF",0.12},{"CC2",0.2},{"CC3",0.1},{"ADC(2)",0.15},{"ADC(3)",0.05},{"Full CI",0.07},{"EOM-CCSDT",0.07},{"EOM-CCSDTQ",0.03},{"BSE@GW",0.1},{"CIS",0.2},{"STEOM-CCSD",0.05},{"EOM-CCSDR(3)",0.05}},AspectRatio->3/4]

Bar charts

Set1={
{"\\text{CIS(D)}","\\text{CIS(D$_\\infty$)}","\\text{CC2}","\\text{STEOM-CCSD}","\\text{EOM-CCSD}","\\text{CCSDR(3)}","\\text{CCSDT-3}","\\text{CC3}","\\text{EOM-CCSDT}","\\text{EOM-CCSDTQ}","\\text{ADC(2)}","\\text{ADC(3)}"}
,
(* All *)
{0.25,0.21,0.22,0.10,0.08,0.04,0.03,0.03,0.03,0.01,0.21,0.23},
(* Singlets *)
{0.28,0.22,0.23,0.09,0.08,0.04,0.03,0.03,0.03,0.01,0.22,0.22},
(* Triplets *)
{0.22,0.19,0.20,0.11,0.07,,,0.02,0.02,0.01,0.19,0.25},
(* Valence *)
{0.20,0.15,0.18,0.10,0.08,0.03,0.03,0.02,0.02,0.01,0.15,0.28},
(* Rydberg *)
{0.32,0.29,0.26,0.09,0.08,0.05,0.04,0.03,0.03,0.01,0.29,0.17},
(* n -> (SuperStar[π]) *)
{0.12,0.12,0.09,0.07,0.06,0.02,0.02,0.01,0.02,0.02,0.12,0.18},
(* π -> (SuperStar[π]) *)
{0.26,0.17,0.24,0.13,0.09,0.04,0.03,0.03,0.02,0.01,0.17,0.36}
};

Set2={
{"\\text{CC3}","\\text{EOM-CCSDT}","\\text{EOM-CCSDTQ}","\\text{CASPT2}","\\text{PC-NEVPT2}","\\text{SC-NEVPT2}"}
,
(* All *)
{0.78,0.40,0.03,0.03,0.07,0.07},
(* T1 > 50% *)
{0.11,0.06,,0.12,0.13,0.22},
(* T1 < 50% *)
{0.86,0.42,0.03,0.02,0.07,0.06}
};

Set3={
{"\\text{CIS(D)}","\\text{ADC(2)}","\\text{CC2}","\\text{STEOM-CCSD}","\\text{EOM-CCSD}","\\text{CCSDR(3)}","\\text{CCSDT-3}","\\text{CC3}"}
,
(* All *)
{0.23,0.14,0.16,0.12,0.13,0.05,0.05,0.01},
(* Singlets *)
{0.21,0.15,0.16,0.11,0.16,0.05,0.05,0.01},
(* Triplets *)
{0.25,0.13,0.15,0.13,0.09,,,0.01},
(* Valence *)
{0.26,0.13,0.15,0.12,0.15,0.07,0.06,0.01},
(* Rydberg *)
{0.15,0.17,0.18,0.12,0.09,0.02,0.03,0.01},
(* n -> (SuperStar[π]) *)
{0.22,0.08,0.08,0.08,0.20,0.08,0.08,0.01},
(* π -> (SuperStar[π]) *)
{0.28,0.17,0.20,0.15,0.11,0.06,0.04,0.02}
};

AspRat=1/6;
SizeLabel=16;
SizeLegend=2;
SizeFont=18;
Ang=90;

AspRat=1/6;
SizeLabel=16;
SizeLegend=2;
SizeFont=22;
Ang=90;
BarChart[{Set1[[2,;;]],Set1[[3,;;]],Set1[[4,;;]],Set1[[5,;;]],Set1[[6,;;]],Set1[[7,;;]],Set1[[8,;;]]},PlotLabel->MaTeX["\\text{Jacquemin set \\#1 (1 to 3 non-hydrogen atoms)}",FontSize->2SizeLabel],ChartElementFunction->"ObliqueRectangle",ChartLabels->{Placed[{Style["Full set",FontFamily-> "Courier"],Style["Singlets",FontFamily-> "Courier"],Style["Triplets",FontFamily-> "Courier"],Style["Valence",FontFamily-> "Courier"],Style["Rydberg",FontFamily-> "Courier"],Style["n -> (SuperStar[π])",FontFamily-> "Courier"],Style["π -> (SuperStar[π])",FontFamily-> "Courier"]},Bottom],Placed[Table[Rotate[MaTeX[Set1[[1,k]],FontSize->SizeLabel],Ang Degree],{k,Length[Set1[[1]]]}],Axis]},ChartStyle->{"BrightBands",None},
ImageSize->1500,GridLines->Automatic,Frame->True,BaseStyle->SizeFont,BarSpacing->{0,1},PlotRange->{{2,90},{0,0.35}},FrameLabel->{None,MaTeX["\\text{MAE (eV)}",FontSize->1.5SizeLabel]},AspectRatio->AspRat]

AspRat=1/4;
SizeLabel=26;
SizeLegend=2;
SizeFont=30;
Ang=90;
BarChart[{Set2[[2,;;]],Set2[[3,;;]],Set2[[4,;;]]},PlotLabel->MaTeX["\\text{Jacquemin set \\#2 (double excitations)}",FontSize->2SizeLabel],ChartElementFunction->"ObliqueRectangle",ChartLabels->{Placed[{Style["Full set",FontFamily-> "Courier"],Style["%(Subscript[T, 1]) > 50%",FontFamily-> "Courier"],Style["%(Subscript[T, 1]) < 50%",FontFamily-> "Courier"]},Bottom],Placed[Table[Rotate[MaTeX[Set2[[1,k]],FontSize->SizeLabel],Ang Degree],{k,Length[Set2[[1]]]}],Axis]},ChartStyle->{"DarkBands",None},ImageSize->1000,Frame->True,BaseStyle->SizeFont,BarSpacing->{0,1},FrameLabel->{None,MaTeX["\\text{MAE (eV)}",FontSize->SizeLabel]},AspectRatio->AspRat]

AspRat=1/6;
SizeLabel=16;
SizeLegend=2;
SizeFont=22;
Ang=90;
BarChart[{Set3[[2,;;]],Set3[[3,;;]],Set3[[4,;;]],Set3[[5,;;]],Set3[[6,;;]],Set3[[7,;;]],Set3[[8,;;]]},PlotLabel->MaTeX["\\text{Jacquemin set \\#3 (4 to 6 non-hydrogen atoms)}",FontSize->2SizeLabel],ChartElementFunction->"ObliqueRectangle",ChartStyle->{"BrightBands",None},ChartLabels->{Placed[{Style["Full set",FontFamily-> "Courier"],Style["Singlets",FontFamily-> "Courier"],Style["Triplets",FontFamily-> "Courier"],Style["Valence",FontFamily-> "Courier"],Style["Rydberg",FontFamily-> "Courier"],Style["n -> (SuperStar[π])",FontFamily-> "Courier"],Style["π -> (SuperStar[π])",FontFamily-> "Courier"]},Bottom],Placed[Table[Rotate[MaTeX[Set3[[1,k]],FontSize->SizeLabel],Ang Degree],{k,Length[Set3[[1]]]}],Axis]},ChartStyle->{{Red,Green,Cyan,Yellow,Orange,Magenta,Cyan},None},
ImageSize->1500,GridLines->Automatic,Frame->True,BaseStyle->SizeFont,BarSpacing->{0,1},PlotRange->{{2,62},{0,0.3}},FrameLabel->{None,MaTeX["\\text{MAE (eV)}",FontSize->1.5SizeLabel]},AspectRatio->AspRat]