[molpro-user] Can MOLPRO deal with the open-shell system by using QCISD(T) method?

[陆瑞锋]

Dear molpro-user,
     It is clearly shown from MOLPRO manual that QCISD(T) method is restricted to closed-shell system, strangely, people have done some OH3 optimizations based on QCISD(T) level, the results are published in J. Chem. Phys. 112, 10162(2000). Can MOLPRO deal with the open-shell system by using QCISD(T) method? If can, how to do it?
     Any help would be greatly appreciated.
     Best wishes! 



Lu Ruifeng---member of Ke-Li Han group,
Dalian Institute of Chemical Physics,
Chinese Academy of Sciences,
Dalian, Liaoning 116023
CHINA
        
　　　　　　　　rflu at dicp.ac.cn
　　　　　　　　　　2005-11-18
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