Added definitions of etas, and modified propagation equation creation so that it will work regardless of the order of the states.

1 files changed, 53 insertions, 40 deletions

diff --git a/mathemathica_fwm/RbXMDSSetup.nb b/mathemathica_fwm/RbXMDSSetup.nb
index 9bf3c34..93b0deb 100755
--- a/mathemathica_fwm/RbXMDSSetup.nb
+++ b/mathemathica_fwm/RbXMDSSetup.nb
@@ -1461,7 +1461,25 @@ Cell[BoxData[{
     RowBox[{
      RowBox[{
       RowBox[{"Join", "[", 
-       RowBox[{"atomicdata", ",", 
+       RowBox[{"atomicdata", ",", "\[IndentingNewLine]", 
+        RowBox[{
+         RowBox[{"Table", "[", 
+          RowBox[{
+           RowBox[{
+            RowBox[{"eta", "[", "s", "]"}], "\[Equal]", 
+            RowBox[{"3", 
+             SuperscriptBox[
+              RowBox[{"Wavelength", "[", "s", "]"}], "2"], 
+             RowBox[{
+              RowBox[{"NaturalWidth", "[", "s", "]"}], "/", 
+              RowBox[{"(", 
+               RowBox[{"4", "\[VeryThinSpace]", "\[Pi]"}], ")"}]}]}]}], ",", 
+           RowBox[{"{", 
+            RowBox[{"s", ",", 
+             RowBox[{"Union", "[", 
+              RowBox[{"Label", "/@", 
+               RowBox[{"ExcitedStates", "[", "system", "]"}]}], "]"}]}], 
+            "}"}]}], "]"}], "/.", "atomicdata"}], ",", 
         RowBox[{"{", 
          RowBox[{
           RowBox[{"rt6", "==", 
@@ -1472,7 +1490,7 @@ Cell[BoxData[{
             SqrtBox["3"], "]"}]}], ",", 
           RowBox[{"rt2", "==", 
            RowBox[{"N", "[", 
-            SqrtBox["2"], "]"}]}]}], "}"}]}], "]"}], "/.", 
+            SqrtBox["2"], "]"}]}]}], "}"}]}], "\[IndentingNewLine]", "]"}], "/.", 
       RowBox[{"Mega", "\[Rule]", 
        SuperscriptBox["10", "6"]}]}], "/.", 
      RowBox[{"Hertz", "\[Rule]", "1"}]}], "/.", 
@@ -1523,6 +1541,10 @@ Cell[BoxData[{
       "\[RuleDelayed]", 
       RowBox[{"\"\<lambda\>\"", "<>", "a"}]}], ",", 
      RowBox[{
+      RowBox[{"\"\<eta(\>\"", "~~", "a_", "~~", "\"\<)\>\""}], 
+      "\[RuleDelayed]", 
+      RowBox[{"\"\<eta\>\"", "<>", "a"}]}], ",", 
+     RowBox[{
       RowBox[{"\"\<g(\>\"", "~~", "a_", "~~", "\"\<)\>\""}], "\[RuleDelayed]", 
       RowBox[{"\"\<g\>\"", "<>", "a"}]}], ",", 
      RowBox[{
@@ -1534,9 +1556,7 @@ Cell[BoxData[{
       RowBox[{"\"\<Ec\>\"", "<>", "a"}]}], ",", 
      RowBox[{
       RowBox[{"\"\<d(\>\"", "~~", "a_", "~~", "\"\<)\>\""}], "\[RuleDelayed]", 
-      RowBox[{"\"\<d\>\"", "<>", "a"}]}], ",", " ", 
-     RowBox[{"\"\<rt\>\"", "\[RuleDelayed]", " ", "\"\<rt\>\""}]}], "}"}]}], 
-  "]"}]}], "Input"],
+      RowBox[{"\"\<d\>\"", "<>", "a"}]}]}], "}"}]}], "]"}]}], "Input"],
 
 Cell[BoxData[
  RowBox[{"Export", "[", 
@@ -2025,36 +2045,30 @@ Cell[BoxData[
      RowBox[{"Sum", "[", 
       RowBox[{
        RowBox[{
-        RowBox[{
-         RowBox[{"DensityMatrix", "[", 
-          RowBox[{
-          "subsys", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], 
-          "]"}], "\[LeftDoubleBracket]", 
-         RowBox[{"n", ",", "m"}], "\[RightDoubleBracket]"}], 
-        RowBox[{"WignerEckart", "[", 
+        RowBox[{"Boole", "[", 
          RowBox[{
           RowBox[{
            RowBox[{
-           "subsys", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], 
-           "\[LeftDoubleBracket]", "m", "\[RightDoubleBracket]"}], ",", 
-          RowBox[{"{", 
-           RowBox[{"Dipole", ",", "1"}], "}"}], ",", 
+            RowBox[{"BranchingRatio", "[", "m", "]"}], "[", "n", "]"}], "=!=",
+            "0"}], "&&", 
           RowBox[{
            RowBox[{
-           "subsys", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], 
-           "\[LeftDoubleBracket]", "n", "\[RightDoubleBracket]"}]}], "]"}]}], 
-       ",", 
+            RowBox[{"BranchingRatio", "[", "n", "]"}], "[", "m", "]"}], "===",
+            "0"}]}], "]"}], 
+        RowBox[{"DMElement", "[", 
+         RowBox[{
+          RowBox[{"SublevelLabel", "@", "n"}], ",", 
+          RowBox[{"SublevelLabel", "@", "m"}], ",", "t"}], "]"}], 
+        RowBox[{"WignerEckart", "[", 
+         RowBox[{"m", ",", 
+          RowBox[{"{", 
+           RowBox[{"Dipole", ",", "1"}], "}"}], ",", "n"}], "]"}]}], ",", 
        RowBox[{"{", 
-        RowBox[{"n", ",", 
-         RowBox[{"Length", "[", 
-          RowBox[{
-          "subsys", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], 
-          "]"}]}], "}"}], ",", 
+        RowBox[{"n", ",", "s"}], "}"}], ",", 
        RowBox[{"{", 
-        RowBox[{"m", ",", "n"}], "}"}]}], "]"}], ",", 
+        RowBox[{"m", ",", "s"}], "}"}]}], "]"}], ",", 
      RowBox[{"{", 
-      RowBox[{"k", ",", 
-       RowBox[{"Length", "[", "subsys", "]"}]}], "}"}]}], "]"}], "/.", 
+      RowBox[{"s", ",", "subsys"}], "}"}]}], "]"}], "/.", 
    "delreps"}]}]], "Input"],
 
 Cell[TextData[{
@@ -2082,19 +2096,18 @@ Cell[BoxData[
        RowBox[{
        "subsys", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], ",", 
        RowBox[{
-        RowBox[{
-         RowBox[{"4", "\[Pi]", " ", "\[ImaginaryI]", " ", 
-          RowBox[{"Energy", "[", 
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-            RowBox[{
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-            "]"}], "]"}], " ", "n0", " ", 
-          RowBox[{
-          "rmes", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], " ", 
-          RowBox[{
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-           "\[RightDoubleBracket]"}]}], "/.", "delreps"}], "/.", 
-        "delreps1"}]}], "]"}], "]"}], ",", 
+        RowBox[{"4", "\[Pi]", " ", "\[ImaginaryI]", " ", 
+         RowBox[{"Energy", "[", 
+          RowBox[{"Last", "[", 
+           RowBox[{
+           "rmes", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], 
+           "]"}], "]"}], " ", "n0", " ", 
+         RowBox[{
+         "rmes", "\[LeftDoubleBracket]", "k", "\[RightDoubleBracket]"}], " ", 
+         RowBox[{
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+    ",", 
     RowBox[{"{", 
      RowBox[{"k", ",", 
       RowBox[{"Length", "[", "subsys", "]"}]}], "}"}]}], "]"}]}]], "Input"],