quick question for the spin-orbit gurus out there: how do i interpret the
output of the spin-orbit eigenvectors in molpro?
here's a sample output (truncated so that it will fit in email nicely):
Basis states Eigenvectors (columnwise)
Nr State S SZ 1 2 3
1 1.1 0.5 0.5 0.671669605 -0.311699406 -0.263461933
0.000000000 0.000000000 0.000000000
2 2.1 0.5 0.5 -0.234127789 -0.504513898 0.280370651
0.318074693 0.191686231 0.000866650
3 1.1 0.5 -0.5 0.164401142 0.354261984 0.096437214
0.264818399 0.570647444 0.216565290
my main question is what are the two numbers? is that the real
an imagiary part of the eigenvector? or is there something else going on?
thanks!
mike
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mike deskevich __o
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