Update README.md

This commit is contained in:
nadiabenamor 2016-05-03 11:33:30 +02:00
parent a49a2b89aa
commit 808008a00c
1 changed files with 10 additions and 6 deletions

View File

@ -24,20 +24,24 @@ People involved
Related Papers Related Papers
============== ==============
- CASDI and (SC)2 size-consistency correction - **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) [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 34, 10 April 1998, Pages 211220 N. Ben Amor, D. Maynau Chem. Phys.Lett. Volume 286, Issues 34, 10 April 1998, Pages 211220
- EXSCI (CASDILOC) - **EXSCI (CASDILOC)**
[Selected excitation for CAS-SDCI calculations](http://dx.doi.org/doi:10.1002/jcc.20588) [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: 632643. Bories, B., Maynau, D. and Bonnet, M.-L. (2007), J. Comput. Chem., 28: 632643.
[Direct selected multireference configuration interaction calculations for large systems using localized orbitals](http://dx.doi.org/10.1063/1.3600351) [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. 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) [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 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)