[molpro-user] Spin-orbital Coupling Calculation With CASPT2

xgguo changeng025 at 126.com
Tue Nov 22 12:31:07 GMT 2011

Dear Molpro community,
      I want to calculate the spin-orbital coupling using the version 2010. Could you please provide me with an input for a CASPT2 calculation? Thank you very much.

Best regards!
Xugeng Guo
Xugeng Guo, Ph.D
State Key Lab for Phys. Chem. of Solid Surf.
& Dept. of Chem.
Xiamen University, Xiamen 361005, CHINA
Email: changeng025 at 126.com

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