[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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