Posted by Peter Burger on September 01, 2015 at 14:41:28:
Hello,
I wonder whether there is an interface to the DMRG progam block, in order to do DMRG-SCF / CASPT2
Regards
Peter
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if B is 1s22s22p1, what is Li?
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Comments: : Hello, : I wonder whether there is an interface to the DMRG progam : block, in order to do DMRG-SCF / CASPT2 : Regards : Peter