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"A perturbation-based super-CI approach for the orbital optimization of a ..."
Christian Kollmar et al. (2019)
- Christian Kollmar
, Kantharuban Sivalingam
, Benjamin Helmich-Paris
, Celestino Angeli
, Frank Neese
:
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. J. Comput. Chem. 40(14): 1463-1470 (2019)
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