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43 lines
1.1 KiB
Markdown
43 lines
1.1 KiB
Markdown
# Cost_package
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###############
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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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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-Ruiz
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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`_
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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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<http://dx.doi.org/doi:10.1016/S0009-2614(98)00104-3>
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EXSCI (CASDILOC)
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| `Selected excitation for CAS-SDCI calculations`_
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| Bories, B., Maynau, D. and Bonnet, M.-L. (2007), J. Comput. Chem., 28: 632–643.
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<http://dx.doi.org/doi:10.1002/jcc.20588>
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