Manuscript + Notebook
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@ -383,7 +383,7 @@ CCSDT &6-31+G(d)& $1.442$ & $3.357$ & $4.311$ \\
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& aug-cc-pVDZ & $1.411$ & $3.175$ & $4.327$ \\
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& aug-cc-pVTZ & $1.411$ & $3.139$ & $4.429$ \\[0.1cm]
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CC4 &6-31+G(d)& & $3.343$ & $4.067$ \\
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CC4 & aug-cc-pVDZ & & $3.164$ & $4.041$ \\[0.1cm]
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& aug-cc-pVDZ & & $3.164$ & $4.041$ \\[0.1cm]
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CCSDTQ &6-31+G(d)& & $3.34$ & $4.073$ \\[0.1cm]
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SA2-CASSCF(4,4) &6-31+G(d)& $1.662$ & $4.657$ & $4.439$ \\
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& aug-cc-pVDZ & $1.672$ & $4.563$ & $4.448$ \\
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555
Notebooks/CBD.nb
555
Notebooks/CBD.nb
@ -10,10 +10,10 @@
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|
||||
Cell[239247, 5943, 26504, 685, 508, "Output",ExpressionUUID->"44230119-7a81-4027-9dcf-5be63e57cabe"]
|
||||
}, Open ]],
|
||||
Cell[CellGroupData[{
|
||||
Cell[265793, 6634, 3156, 50, 79, "Input",ExpressionUUID->"a64c1c75-5181-46a3-916b-6c0d8d53cd2a"],
|
||||
Cell[268952, 6686, 13306, 291, 966, "Output",ExpressionUUID->"e2124d33-2d89-4e1c-8d3a-3faa59b02399"]
|
||||
Cell[265788, 6633, 3156, 50, 56, "Input",ExpressionUUID->"a64c1c75-5181-46a3-916b-6c0d8d53cd2a"],
|
||||
Cell[268947, 6685, 13306, 291, 966, "Output",ExpressionUUID->"e2124d33-2d89-4e1c-8d3a-3faa59b02399"]
|
||||
}, Open ]],
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||||
Cell[282273, 6980, 147, 3, 52, "Input",ExpressionUUID->"91058d2c-e268-4c8b-8ff4-d01b8a02c12e"]
|
||||
Cell[282268, 6979, 147, 3, 52, "Input",ExpressionUUID->"91058d2c-e268-4c8b-8ff4-d01b8a02c12e"]
|
||||
}, Open ]]
|
||||
}, Open ]],
|
||||
Cell[CellGroupData[{
|
||||
Cell[282469, 6989, 164, 3, 67, "Section",ExpressionUUID->"5e574607-3b56-4320-867c-484c37c5330b"],
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||||
Cell[282464, 6988, 164, 3, 67, "Section",ExpressionUUID->"5e574607-3b56-4320-867c-484c37c5330b"],
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||||
Cell[CellGroupData[{
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||||
Cell[282658, 6996, 152, 3, 54, "Subsection",ExpressionUUID->"1c76f8e7-0977-47de-b4f9-95febd6ffe98"],
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||||
Cell[282813, 7001, 2921, 65, 241, "Input",ExpressionUUID->"1606e71a-fdd3-4bff-84a4-4cf2d64faef5"],
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Cell[282653, 6995, 152, 3, 54, "Subsection",ExpressionUUID->"1c76f8e7-0977-47de-b4f9-95febd6ffe98"],
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||||
Cell[282808, 7000, 2921, 65, 241, "Input",ExpressionUUID->"1606e71a-fdd3-4bff-84a4-4cf2d64faef5"],
|
||||
Cell[CellGroupData[{
|
||||
Cell[285759, 7070, 3030, 47, 52, "Input",ExpressionUUID->"4b815da6-1ca4-49fb-9f5e-99820f6623b2"],
|
||||
Cell[288792, 7119, 3424, 79, 200, "Output",ExpressionUUID->"37fab670-976c-41e6-a633-c9de5012fcd2"]
|
||||
Cell[285754, 7069, 3030, 47, 52, "Input",ExpressionUUID->"4b815da6-1ca4-49fb-9f5e-99820f6623b2"],
|
||||
Cell[288787, 7118, 3424, 79, 200, "Output",ExpressionUUID->"37fab670-976c-41e6-a633-c9de5012fcd2"]
|
||||
}, Open ]],
|
||||
Cell[CellGroupData[{
|
||||
Cell[292248, 7202, 168, 3, 45, "Subsubsection",ExpressionUUID->"39bfcb3c-82e9-40f1-a609-e1fd21238104"],
|
||||
Cell[292419, 7207, 12750, 327, 1060, "Input",ExpressionUUID->"9cdf6e6d-a218-450a-95f8-e3b0048775a3"],
|
||||
Cell[CellGroupData[{
|
||||
Cell[305194, 7538, 926, 20, 52, "Input",ExpressionUUID->"224e51d4-fb80-4d27-8453-1ee6ceb061d4"],
|
||||
Cell[306123, 7560, 4268, 88, 296, "Output",ExpressionUUID->"f0158f25-df23-48b5-af1b-3accd460ba28"]
|
||||
}, Open ]]
|
||||
}, Open ]]
|
||||
}, Open ]]
|
||||
}, Open ]]
|
||||
|
||||
Loading…
Reference in New Issue
Block a user