---
title: "# Cost_package"
date: 2020-07-09T17:50:53+02:00
draft: false
---

Web page : https://git.irsamc.ups-tlse.fr/LCPQ/Cost_package

In the whole package "cost", you can find :
 - **casdi** : MRCI program (MR-SDCI or DDCI),
 - **dolo** : localization of orbitals,
 - **exsci** also named casdiloc: selected MRCI (quasi linear MRCI),
 - **noscf** : to optimize orbitals (using MR-SCI and density matrices of the states, different spin multiplicity or spatial symmetry allowed),
 - **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

 - DOLO (DO Local Orbitals)

	[Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy](http://dx.doi.org/10.1063/1.1476312), Daniel Maynau, Stefano Evangelisti, Nathalie Guihéry, Carmen J. Calzado and Jean-Paul Malrieu, J. Chem. Phys. 116, 10060 (2002)