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Relativistic CASPT2, NEVPT2, and ic-MRCI

posted Aug 13, 2015, 7:27 AM by Toru Shiozaki
We have finished implementing relativistic CASPT2, NEVPT2, and ic-MRCI. NEVPT2 is already parallelized and ready for practical use. CASPT2 and ic-MRCI needs a bit more work. See details in on arXiv.
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