Mario Piris
Mario Piris
DIPC & UPV/EHU & IKERBASQUE
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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
1512006
A natural orbital functional for multiconfigurational states
M Piris, X Lopez, F Ruipérez, JM Matxain, JM Ugalde
The Journal of chemical physics 134 (16), 164102, 2011
1092011
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
712013
Iterative diagonalization for orbital optimization in natural orbital functional theory
M Piris, JM Ugalde
Journal of computational chemistry 30 (13), 2078-2086, 2009
682009
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), 031103, 2010
672010
Communication: The role of the positivity -representability conditions in natural orbital functional theory
M Piris, JM Matxain, X Lopez, JM Ugalde
The Journal of chemical physics 133 (11), 111101, 2010
652010
Perspective on natural orbital functional theory
M Piris, JM Ugalde
International Journal of Quantum Chemistry 114 (18), 1169-1175, 2014
622014
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), 214102, 2005
562005
Natural orbital functional theory
M Piris
Advances in Chemical Physics 134, 387, 2007
532007
Spin conserving natural orbital functional theory
M Piris, JM Matxain, X Lopez, JM Ugalde
The Journal of chemical physics 131 (2), 021102, 2009
512009
The intrapair electron correlation in natural orbital functional theory
M Piris, JM Matxain, X Lopez
The Journal of chemical physics 139 (23), 234109, 2013
502013
Interacting pairs in natural orbital functional theory
M Piris
The Journal of chemical physics 141 (4), 044107, 2014
492014
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
491991
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
482007
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), 214103, 2007
482007
Global Method for Electron Correlation
M Piris
Physical Review Letters 119 (6), 063002, 2017
472017
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
382013
A generalized self‐consistent‐field procedure in the improved BCS theory
M Piris
Journal of mathematical chemistry 25 (1), 47-54, 1999
381999
One‐particle density matrix functional for correlation in molecular systems
M Piris, P Otto
International journal of quantum chemistry 94 (6), 317-323, 2003
362003
Description of high‐spin restricted open‐shell molecules with the Piris natural orbital functional
P Leiva, M Piris
International Journal of Quantum Chemistry 107 (1), 1-11, 2007
352007
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Artículos 1–20