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

<http://dx.doi.org/doi:10.1016/S0009-2614(98)00104-3>


EXSCI (CASDILOC) 

| `Selected excitation for CAS-SDCI calculations`_

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

<http://dx.doi.org/doi:10.1002/jcc.20588>