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Physical Review Letters
|
June 13, 2009
Ab initio calculation of van der Waals bonded molecular crystals
Deyu Lu, Yan Li, Dario Rocca, et al.
The Journal of Chemical Physics
|
April 25, 2008
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca, Ralph Gebauer, Yousef Saad, et al.
Beilstein Journal of Nanotechnology
|
July 11, 2017
Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene
Dario Rocca, Ali Abboud, Ganapathy Vaitheeswaran, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff Approximation
Dario Rocca, Márton Vörös, Adam Gali, et al.
The Journal of Chemical Physics
|
June 10, 2017
Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation
Anant Dixit, Julien Claudot, Sébastien Lebègue, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2020
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomolecules
Minho Kim, Tim Gould, Dario Rocca, et al.
Journal of Chemical Theory and Computation
|
October 12, 2017
Improving the Efficiency of Beyond-RPA Methods within the Dielectric Matrix Formulation: Algorithms and Applications to the A24 and S22 Test Sets
Anant Dixit, Julien Claudot, Sébastien Lebègue, et al.
Journal of Chemical Theory and Computation
|
April 12, 2023
Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning
Basile Herzog, Bastien Casier, Sébastien Lebègue, et al.
Journal of Chemical Theory and Computation
|
March 18, 2016
Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects
Bastien Mussard, Dario Rocca, Georg Jansen, et al.
The Journal of Chemical Physics
|
January 28, 2012
A block variational procedure for the iterative diagonalization of non-Hermitian random-phase approximation matrices
Dario Rocca, Zhaojun Bai, Ren-Cang Li, et al.
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of 4
Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Physical Review Letters
|
June 13, 2009
Ab initio calculation of van der Waals bonded molecular crystals
Deyu Lu, Yan Li, Dario Rocca, et al.
The Journal of Chemical Physics
|
April 25, 2008
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca, Ralph Gebauer, Yousef Saad, et al.
Beilstein Journal of Nanotechnology
|
July 11, 2017
Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene
Dario Rocca, Ali Abboud, Ganapathy Vaitheeswaran, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff Approximation
Dario Rocca, Márton Vörös, Adam Gali, et al.
The Journal of Chemical Physics
|
June 10, 2017
Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation
Anant Dixit, Julien Claudot, Sébastien Lebègue, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2020
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomolecules
Minho Kim, Tim Gould, Dario Rocca, et al.
Journal of Chemical Theory and Computation
|
October 12, 2017
Improving the Efficiency of Beyond-RPA Methods within the Dielectric Matrix Formulation: Algorithms and Applications to the A24 and S22 Test Sets
Anant Dixit, Julien Claudot, Sébastien Lebègue, et al.
Journal of Chemical Theory and Computation
|
April 12, 2023
Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning
Basile Herzog, Bastien Casier, Sébastien Lebègue, et al.
Journal of Chemical Theory and Computation
|
March 18, 2016
Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects
Bastien Mussard, Dario Rocca, Georg Jansen, et al.
The Journal of Chemical Physics
|
January 28, 2012
A block variational procedure for the iterative diagonalization of non-Hermitian random-phase approximation matrices
Dario Rocca, Zhaojun Bai, Ren-Cang Li, et al.
Page
of 4