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Cost_package
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Web page : http://github.com/LCPQ/Cost_package
In the whole package "cost", there is
- casdi (MRCI program),
- dolo wich allows the localization of orbitals,
- exsci also named casdiloc which is a selected MRCI (quasi linear MRCI),
- noscf program to optimize orbitals (density matrices of states with different spin multiplicity or spatial symmetry),
- faiano, to transform a basis set in an ANO form (sometimes useful for the localization)
- etc...
People involved
- Daniel Maynau
- Nadia Ben Amor
- Jose-Vicente Pitarch
- Antonio Monari
- Sophie Hoyau
Related Papers
CASDI and (SC)2 size-consistency correction
| Size-consistent self-consistent configuration interaction from a complete active space <http://dx.doi.org/doi:10.1016/S0009-2614(98)00104-3>
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| N. Ben Amor, D. Maynau Chem. Phys.Lett. Volume 286, Issues 3–4, 10 April 1998, Pages 211–220
EXSCI (CASDILOC)
| Selected excitation for CAS-SDCI calculations <http//dx.doi.org/doi:10.1002/jcc.20588>
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| E. Giner, G. David, A. Scemama, J. P. Malrieu arXiv:1509.03114 [physics.chem-ph], 2015.