[molpro-user] about the examples/lih+_S0T0.com in molpro
Haitao Ma
mht at mrdlab.icas.ac.cn
Tue Feb 21 13:12:05 GMT 2006
Dear Molpro User,
Where can I get the references about the examples/lih+_S0T0.com, which
is the the only example about the optimization the conical intersection
between singlet and triplet states.
Any suggestions will be very helpful to us! Thank you very much!
yours sincerely
MHT
p.s.
I am interested in the reaction, which didn't conserve spin and gave
spin-forbiden products. But I have no accurate idea about the relationship
between the conical intersection and inter-system-crossing, spin-forbiden
reaction. :)
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