A new approach for the two‐electron cumulant in natural orbital functional theory M Piris International journal of quantum chemistry 106 (5), 1093-1104, 2006 | 189 | 2006 |
A natural orbital functional for multiconfigurational states M Piris, X Lopez, F Ruipérez, JM Matxain, JM Ugalde The Journal of chemical physics 134 (16), 2011 | 146 | 2011 |
Global Method for Electron Correlation M Piris Physical Review Letters 119 (6), 063002, 2017 | 130 | 2017 |
A natural orbital functional based on an explicit approach of the two‐electron cumulant M Piris International Journal of Quantum Chemistry 113 (5), 620-630, 2013 | 99 | 2013 |
Iterative diagonalization for orbital optimization in natural orbital functional theory M Piris, JM Ugalde Journal of computational chemistry 30 (13), 2078-2086, 2009 | 92 | 2009 |
Perspective on natural orbital functional theory M Piris, JM Ugalde International Journal of Quantum Chemistry 114 (18), 1169-1175, 2014 | 90 | 2014 |
Communications: Accurate description of atoms and molecules by natural orbital functional theory M Piris, JM Matxain, X Lopez, JM Ugalde The Journal of chemical physics 132 (3), 2010 | 86 | 2010 |
New Solids Based on B12N12 Fullerenes JM Matxain, LA Eriksson, JM Mercero, X Lopez, M Piris, JM Ugalde, ... The Journal of Physical Chemistry C 111 (36), 13354-13360, 2007 | 85 | 2007 |
Communication: The role of the positivity N-representability conditions in natural orbital functional theory M Piris, JM Matxain, X Lopez, JM Ugalde The Journal of chemical physics 133 (11), 2010 | 79 | 2010 |
Interacting pairs in natural orbital functional theory M Piris The Journal of Chemical Physics 141 (4), 2014 | 72 | 2014 |
The intrapair electron correlation in natural orbital functional theory M Piris, JM Matxain, X Lopez The Journal of Chemical Physics 139 (23), 2013 | 71 | 2013 |
Assessment of a new approach for the two-electron cumulant in natural-orbital-functional theory P Leiva, M Piris The Journal of chemical physics 123 (21), 2005 | 65 | 2005 |
Spin conserving natural orbital functional theory M Piris, JM Matxain, X Lopez, JM Ugalde The Journal of chemical physics 131 (2), 2009 | 62 | 2009 |
Dispersion interactions within the Piris natural orbital functional theory: the helium dimer M Piris, X Lopez, JM Ugalde The Journal of chemical physics 126 (21), 2007 | 58 | 2007 |
The Bond Order of C2 from a Strictly N‐Representable Natural Orbital Energy Functional Perspective M Piris, X Lopez, JM Ugalde Chemistry–A European Journal 22 (12), 4109-4115, 2016 | 52 | 2016 |
Final report on research contract 5472/RB R Capote, V Osorio, R Lopez, E Herrera, M Piris INDC (CUB)-004 (Higher Institute of Nuclear Science and Technology, Cuba …, 1991 | 50 | 1991 |
A generalized self‐consistent‐field procedure in the improved BCS theory M Piris Journal of mathematical chemistry 25 (1), 47-54, 1999 | 48 | 1999 |
Natural orbital functional theory M Piris Advances in Chemical Physics 134, 387, 2007 | 47 | 2007 |
The natural orbital functional theory of the bonding in Cr 2, Mo 2 and W 2 F Ruipérez, M Piris, JM Ugalde, JM Matxain Physical Chemistry Chemical Physics 15 (6), 2055-2062, 2013 | 46 | 2013 |
Global natural orbital functional: Towards the complete description of the electron correlation M Piris Physical Review Letters 127 (23), 233001, 2021 | 45 | 2021 |