CASPT2 methode for nwchem

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Forum Vet

9:10:47 AM PDT - Tue, Apr 30th 2013
Thorsten, We are working on the implementation of a fast CASSCF, RASSCF, GASSCF implementation with Laura Gagliardi from Minnesota. Our hope is that GASSCF will be able to achieve the accuracy of CASPT2. Bert