[molpro-user] Molpro-user Digest, Vol 26, Issue 8

lydia theochemly at gmail.com
Sun Sep 19 23:10:01 BST 2010

Dear Molpro user,
I found the molpro 2009.1 can only use the casscf or mrci, but not
caspt2(rs2c or rs2) to calculate the spin-orbit coupling (SOC). As we
know, for some systems, the mrci is not affordable. I need the caspt2
to calculate the SOC. Does some users want to share some experiences
with me about it?

Best regards,

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