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The Journal of Chemical Physics
|
February 16, 2024
Time evolution of natural orbitals in ab initio molecular dynamics
Alejandro Rivero Santamaría, Mario Piris
The Journal of Chemical Physics
|
December 10, 2015
Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms
Jerzy Cioslowski, Mario Piris, Eduard Matito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 10, 2018
Corrigendum: On the performance of natural orbital functional approximations in the Hubbard model (2017<i>J. Phys.: Condens. Matter</i><b>29</b>425602)
Ion Mitxelena, Mario Piris, Mauricio Rodríguez-Mayorga
Journal of Molecular Modeling
|
September 4, 2012
Computational study of Be2 using Piris natural orbital functionals
Jon M Matxain, Fernando Ruipérez, Mario Piris
The Journal of Physical Chemistry Letters
|
November 28, 2024
Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical Simulations
Mario Piris, Xabier Lopez, Jesus M Ugalde
Journal of Chemical Theory and Computation
|
February 21, 2025
Efficient Energy Measurement of Chemical Systems via One-Particle Reduced Density Matrix: A NOF-VQE Approach for Optimized Sampling
Juan Felipe Huan Lew-Yee, Mario Piris
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 30, 2016
The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective
Mario Piris, Xabier Lopez, Jesus M Ugalde
The Journal of Chemical Physics
|
June 10, 2008
Electron-pair density relaxation holes
Mario Piris, Xabier Lopez, Jesus M Ugalde
Journal of Chemical Theory and Computation
|
March 6, 2026
5- and 6-Membered Rings: A Natural Orbital Functional Study
Ion Mitxelena, Juan Felipe Huan Lew-Yee, Mario Piris
The Journal of Chemical Physics
|
December 22, 2014
Two new constraints for the cumulant matrix
Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 44) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
February 16, 2024
Time evolution of natural orbitals in ab initio molecular dynamics
Alejandro Rivero Santamaría, Mario Piris
The Journal of Chemical Physics
|
December 10, 2015
Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms
Jerzy Cioslowski, Mario Piris, Eduard Matito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 10, 2018
Corrigendum: On the performance of natural orbital functional approximations in the Hubbard model (2017<i>J. Phys.: Condens. Matter</i><b>29</b>425602)
Ion Mitxelena, Mario Piris, Mauricio Rodríguez-Mayorga
Journal of Molecular Modeling
|
September 4, 2012
Computational study of Be2 using Piris natural orbital functionals
Jon M Matxain, Fernando Ruipérez, Mario Piris
The Journal of Physical Chemistry Letters
|
November 28, 2024
Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical Simulations
Mario Piris, Xabier Lopez, Jesus M Ugalde
Journal of Chemical Theory and Computation
|
February 21, 2025
Efficient Energy Measurement of Chemical Systems via One-Particle Reduced Density Matrix: A NOF-VQE Approach for Optimized Sampling
Juan Felipe Huan Lew-Yee, Mario Piris
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 30, 2016
The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective
Mario Piris, Xabier Lopez, Jesus M Ugalde
The Journal of Chemical Physics
|
June 10, 2008
Electron-pair density relaxation holes
Mario Piris, Xabier Lopez, Jesus M Ugalde
Journal of Chemical Theory and Computation
|
March 6, 2026
5- and 6-Membered Rings: A Natural Orbital Functional Study
Ion Mitxelena, Juan Felipe Huan Lew-Yee, Mario Piris
The Journal of Chemical Physics
|
December 22, 2014
Two new constraints for the cumulant matrix
Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, et al.
Page
of 5