Cost_package/README.md

# Cost_package
###############

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-Ruiz
* 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)
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)
Bories, B., Maynau, D. and Bonnet, M.-L. (2007), J. Comput. Chem., 28: 632–643.


[Direct selected multireference configuration interaction calculations for large systems using localized orbitals](http://dx.doi.org/10.1063/1.3600351)
N. Ben Amor, F. Bessac, S. Hoyau, D. Maynau, Journal of Chemical Physics, 2011, 135, pp.014101/1-014101/14.

[Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones](http://dx.doi.org/10.1063/1.4747535)
C. Chang,C. Calzado, N. Ben Amor, J. Sánchez-Marín, D. Maynau, Journal of Chemical Physics, 2012, 137 (10), pp.104102/1-104102/12