From 808008a00c7cb3e196755104c54d0b8a98037547 Mon Sep 17 00:00:00 2001 From: nadiabenamor Date: Tue, 3 May 2016 11:33:30 +0200 Subject: [PATCH] Update README.md --- README.md | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index c72456a..705d63a 100644 --- a/README.md +++ b/README.md @@ -24,20 +24,24 @@ People involved 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 3–4, 10 April 1998, Pages 211–220 -- 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: 632–643. -[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. -[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 + +- **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)