diff --git a/Manuscript/sup-CBD.tex b/Manuscript/sup-CBD.tex index 98d0de1..d7a50de 100644 --- a/Manuscript/sup-CBD.tex +++ b/Manuscript/sup-CBD.tex @@ -220,7 +220,8 @@ CASPT2(4,4) & $-1.16$ & \alert{$-0.021$} & $-0.202$ & $0.034$ & $-0.016$ & $0.00 %XMS-CASPT2(4,4) & & & & $-0.035$ & & & \\ SC-NEVPT2(4,4) & $0.30$ & \alert{$-0.054$} & $-0.703$ & $0.070$ & $-0.120$ & $-0.072$ & $-0.794$ \\ PC-NEVPT2(4,4) & $0.31$ & \alert{$-0.051$} & $-0.757$ & $0.045$ & $-0.118$ & $-0.097$ & $-0.846$ \\ -%MRCI(4,4) & & $0.106$ & $0.553$ & $0.121$ & $0.127$ & $0.324$ & $0.381$ \\[0.1cm] +\alert{MRCI(4,4)} & & $0.135$ & $0.553$ & $0.232$ & $0.127$ & $0.324$ & $0.566$ \\ +\alert{MRCI(4,4)+Q} & & $0.086$ & $0.217$ & $0.121$ & $0.075$ & $0.167$ & $0.205$ \\ CASSCF(12,12) & $2.66$ & \alert{$0.253$} & $0.719$ & $0.179$ & $0.226$ & $0.443$ & $0.785$ \\ CASPT2(12,12) & $-0.42$& \alert{$0.047$} & $0.058$ & $0.005$ & $0.039$ & $0.038$ & $0.077$ \\ %XMS-CASPT2(12,12) & & & & $-0.090$ & & & \\