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Journal of Computational Chemistry|December 30, 2006
Selected excitation for CAS-SDCI calculationsBenoît Bories, Daniel Maynau, Marie-Laure Bonnet
The Journal of Chemical Physics|November 25, 2011
Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: a case study of polynuclear transition-metal systemsCarmen J Calzado, Daniel Maynau
The Journal of Chemical Physics|September 24, 2005
Large systems at ab initio multireference level: a cheap treatment thanks to a division into fragmentsFabienne Bessac, Sophie Hoyau, Daniel Maynau
Stem Cell Research & Therapy|May 9, 2025
Electrophysiological characterisation of intranigral-grafted hiPSC-derived dopaminergic neurons in a mouse model of Parkinson's diseaseBérengère Ballion, Marie-Laure Bonnet, Sébastien Brot, et al.
Journal of Computational Chemistry|May 18, 2005
A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approachStefano Borini, Daniel Maynau, Stefano Evangelisti
The Journal of Chemical Physics|February 10, 2011
A regionally contracted multireference configuration interaction method: general theory and results of an incremental versionSophie Hoyau, Daniel Maynau, Jean-Paul Malrieu
Journal of Chemical Theory and Computation|December 4, 2015
Does a Sodium Atom Bind to C60?Jose Pitarch-Ruiz, Stefano Evangelisti, Daniel Maynau
Journal of Computational Chemistry|July 13, 2002
Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient wayJosé Pitarch-Ruiz, José Sánchez-Marín, Daniel Maynau
The Journal of Chemical Physics|February 4, 2012
Ab initio derivation of multi-orbital extended Hubbard model for molecular crystalsMasahisa Tsuchiizu, Yukiko Omori, Yoshikazu Suzumura, et al.
Journal of the American Chemical Society|December 17, 2008
Light-induced excited spin state trapping: ab initio study of the physics at the molecular levelNicolas Suaud, Marie-Laure Bonnet, Corentin Boilleau, et al.
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