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Explications
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# Cost_package
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# Cost_package
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###############
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:tags: Cost package
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:slug: cost_package
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Web page : http://github.com/LCPQ/Cost_package
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In the whole package "cost", there is
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- casdi (MRCI program),
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- dolo wich allows the localization of orbitals,
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- exsci also named casdiloc which is a selected MRCI (quasi linear MRCI),
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- noscf program to optimize orbitals (density matrices of states with different spin multiplicity or spatial symmetry),
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- faiano, to transform a basis set in an ANO form (sometimes useful for the localization)
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- etc...
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Download
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========
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People involved
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===============
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* Daniel Maynau
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* Nadia Ben Amor
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* Jose-Vicente Pitarch
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* Antonio Monari
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* Sophie Hoyau
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Related Papers
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==============
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CASDI and (SC)2 size-consistency correction
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| `Size-consistent self-consistent configuration interaction from a complete active space <http://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
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EXSCI (CASDILOC)
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| `Selected excitation for CAS-SDCI calculations <http: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.
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