Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 35(19), p. 24029-24041
DOI: 10.1039/c7cp03349d
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Comprehensive benchmarking of density matrix functional approximations
Journal article published in 2017 by
Mauricio Rodríguez-Mayorga 
,
Eloy Ramos-Cordoba ,
Mireia Via-Nadal,
Mario Piris ,
Eduard Matito
,
Eloy Ramos-Cordoba ,
Mireia Via-Nadal,
Mario Piris ,
Eduard Matito
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Abstract
Density matrix functional approximations under the microscope: they should pass a series of ten tests including the energy and other relevant properties.