EPAWTFT/Notebooks/sbHF.nb
2020-07-02 11:16:11 +02:00

12041 lines
522 KiB
Mathematica

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DisplayFunction -> Identity, Ticks -> {Automatic, Automatic},
AxesOrigin -> {0, 0},
FrameTicks -> {{Automatic, Automatic}, {Automatic, Automatic}},
GridLines -> {None, None}, DisplayFunction -> Identity,
PlotRangePadding -> {{
Scaled[0.02],
Scaled[0.02]}, {
Scaled[0.05],
Scaled[0.05]}}, PlotRangeClipping -> True, ImagePadding -> All,
DisplayFunction -> Identity, AspectRatio ->
NCache[GoldenRatio^(-1), 0.6180339887498948], Axes -> {True, True},
AxesLabel -> {None, None}, AxesOrigin -> {0, 0}, DisplayFunction :>
Identity, Frame -> {{False, False}, {False, False}},
FrameLabel -> {{None, None}, {None, None}},
FrameTicks -> {{Automatic, Automatic}, {Automatic, Automatic}},
GridLines -> {None, None}, GridLinesStyle -> Directive[
GrayLevel[0.5, 0.4]],
Method -> {
"DefaultBoundaryStyle" -> Automatic,
"DefaultGraphicsInteraction" -> {
"Version" -> 1.2, "TrackMousePosition" -> {True, False},
"Effects" -> {
"Highlight" -> {"ratio" -> 2}, "HighlightPoint" -> {"ratio" -> 2},
"Droplines" -> {
"freeformCursorMode" -> True,
"placement" -> {"x" -> "All", "y" -> "None"}}}},
"DefaultMeshStyle" -> AbsolutePointSize[6], "ScalingFunctions" -> None,
"CoordinatesToolOptions" -> {"DisplayFunction" -> ({
(Identity[#]& )[
Part[#, 1]],
(Identity[#]& )[
Part[#, 2]]}& ), "CopiedValueFunction" -> ({
(Identity[#]& )[
Part[#, 1]],
(Identity[#]& )[
Part[#, 2]]}& )}},
PlotRange -> {{-3, 0}, {-2.17569115126694, 0.8402362019897942}},
PlotRangeClipping -> True, PlotRangePadding -> {{
Scaled[0.02],
Scaled[0.02]}, {
Scaled[0.02],
Scaled[0.02]}}, Ticks -> {Automatic, Automatic}}],
FormBox[
FormBox[
TemplateBox[{
"\"RHF_GS_min\"", "\"RHF_GS_max\"", "\"RHF_ES_min\"", "\"RHF_ES_max\"",
"\"sb_RHF\""}, "LineLegend", DisplayFunction -> (FormBox[
StyleBox[
StyleBox[
PaneBox[
TagBox[
GridBox[{{
TagBox[
GridBox[{{
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.368417, 0.506779, 0.709798],
AbsoluteThickness[1.6]], {
LineBox[{{0, 10}, {20, 10}}]}}, {
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.368417, 0.506779, 0.709798],
AbsoluteThickness[1.6]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.880722, 0.611041, 0.142051],
AbsoluteThickness[1.6]], {
LineBox[{{0, 10}, {20, 10}}]}}, {
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.880722, 0.611041, 0.142051],
AbsoluteThickness[1.6]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #2}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.560181, 0.691569, 0.194885],
AbsoluteThickness[1.6]], {
LineBox[{{0, 10}, {20, 10}}]}}, {
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.560181, 0.691569, 0.194885],
AbsoluteThickness[1.6]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #3}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.922526, 0.385626, 0.209179],
AbsoluteThickness[1.6]], {
LineBox[{{0, 10}, {20, 10}}]}}, {
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.922526, 0.385626, 0.209179],
AbsoluteThickness[1.6]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #4}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.528488, 0.470624, 0.701351],
AbsoluteThickness[1.6]], {
LineBox[{{0, 10}, {20, 10}}]}}, {
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
Opacity[1.],
RGBColor[0.528488, 0.470624, 0.701351],
AbsoluteThickness[1.6]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #5}},
GridBoxAlignment -> {
"Columns" -> {Center, Left}, "Rows" -> {{Baseline}}},
AutoDelete -> False,
GridBoxDividers -> {
"Columns" -> {{False}}, "Rows" -> {{False}}},
GridBoxItemSize -> {"Columns" -> {{All}}, "Rows" -> {{All}}},
GridBoxSpacings -> {
"Columns" -> {{0.5}}, "Rows" -> {{0.8}}}], "Grid"]}},
GridBoxAlignment -> {"Columns" -> {{Left}}, "Rows" -> {{Top}}},
AutoDelete -> False,
GridBoxItemSize -> {
"Columns" -> {{Automatic}}, "Rows" -> {{Automatic}}},
GridBoxSpacings -> {"Columns" -> {{1}}, "Rows" -> {{0}}}],
"Grid"], Alignment -> Left, AppearanceElements -> None,
ImageMargins -> {{5, 5}, {5, 5}}, ImageSizeAction ->
"ResizeToFit"], LineIndent -> 0, StripOnInput -> False], {
FontFamily -> "Arial"}, Background -> Automatic, StripOnInput ->
False], TraditionalForm]& ),
InterpretationFunction :> (RowBox[{"LineLegend", "[",
RowBox[{
RowBox[{"{",
RowBox[{
RowBox[{"Directive", "[",
RowBox[{
RowBox[{"Opacity", "[", "1.`", "]"}], ",",
InterpretationBox[
ButtonBox[
TooltipBox[
GraphicsBox[{{
GrayLevel[0],
RectangleBox[{0, 0}]}, {
GrayLevel[0],
RectangleBox[{1, -1}]}, {
RGBColor[0.368417, 0.506779, 0.709798],
RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
"ColorSwatchGraphics", AspectRatio -> 1, Frame -> True,
FrameStyle ->
RGBColor[
0.24561133333333335`, 0.3378526666666667,
0.4731986666666667], FrameTicks -> None, PlotRangePadding ->
None, ImageSize ->
Dynamic[{
Automatic, 1.35 CurrentValue["FontCapHeight"]/
AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
RowBox[{"0.368417`", ",", "0.506779`", ",", "0.709798`"}],
"]"}], NumberMarks -> False]], Appearance -> None,
BaseStyle -> {}, BaselinePosition -> Baseline,
DefaultBaseStyle -> {}, ButtonFunction :>
With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorInitialColor =
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PlotRangePadding -> {{
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Scaled[0.02]}, {
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FrameTicks -> {{Automatic, Automatic}, {Automatic, Automatic}},
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"placement" -> {"x" -> "All", "y" -> "None"}}}},
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(Identity[#]& )[
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FrameStyle ->
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StyleBox[
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DefaultBaseStyle -> {}, ButtonFunction :>
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If[
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AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEndResource["RGBColorValueSelector"], {
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RectangleBox[{1, -1}]}, {
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RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle ->
RGBColor[
0.587148, 0.40736066666666665`, 0.09470066666666668],
FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
Dynamic[{
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AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
RowBox[{"0.880722`", ",", "0.611041`", ",", "0.142051`"}],
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BaseStyle -> {}, BaselinePosition -> Baseline,
DefaultBaseStyle -> {}, ButtonFunction :>
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If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
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FrontEnd`Private`$ColorSelectorInitialColor =
RGBColor[0.880722, 0.611041, 0.142051];
FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
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FrontEndResource["RGBColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
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For R>0 the sb-UHF solution is a minimum because the symmetry breaking \
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For R>0 the sb-UHF 1 is the \[OpenCurlyDoubleQuote]bonding\
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We can do the same reasoning for R<0.\
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FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
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FrontEnd`Private`$ColorSelectorInitialColor =
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FrameStyle ->
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RectangleBox[{1, -1}]}, {
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RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle ->
RGBColor[
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FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
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AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
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DefaultBaseStyle -> {}, ButtonFunction :>
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SelectionMove[Typeset`box$, All, Expression];
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FrontEnd`Private`$ColorSelectorInitialColor =
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0, {Left, Bottom}}, {Left, Top},
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RectangleBox[{1, -1}]}, {
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RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle ->
RGBColor[
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FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
Dynamic[{
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AbsoluteCurrentValue[Magnification]}]],
StyleBox[
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BaseStyle -> {}, BaselinePosition -> Baseline,
DefaultBaseStyle -> {}, ButtonFunction :>
With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["RGBColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
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