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Re: a tutorial on how to select orbitals for active space using Firefly
sanya
sanya@photonics.ru
I would like to add a paper of V. Veryazov, P.Å. Malmqvist, and B.O. Roos with some hints on selecting the active space:
http://onlinelibrary.wiley.com/doi/10.1002/qua.23068/abstract
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Tue Oct 16 '12 4:58am
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