[molpro-user] about the examples/lih+_S0T0.com in molpro

[Nick Wilson]

I think the example you mean is called lih2+_S0T0.com and is available
in the documentation package or directly from the website here:
http://www.molpro.net/info/current/examples/lih2+_S0T0.com

Best wishes,
Nick Wilson

Haitao Ma wrote:
> 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.  :)
> 
> 
>