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Journal of Computational Chemistry
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December 5, 2006
Maximum probability domains from Quantum Monte Carlo calculations
Anthony Scemama, Michel Caffarel, Andreas Savin
The Journal of Chemical Physics
|
February 2, 2015
Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
Emmanuel Giner, Anthony Scemama, Michel Caffarel
The Journal of Chemical Physics
|
August 7, 2010
Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo
Thomas Bouabça, Benoît Braïda, Michel Caffarel
The Journal of Chemical Physics
|
July 21, 2004
Electron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data
Anthony Scemama, Patrick Chaquin, Michel Caffarel
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 16, 2007
Improved Monte Carlo estimators for the one-body density
Roland Assaraf, Michel Caffarel, Anthony Scemama
The Journal of Physical Chemistry. A
|
September 2, 2009
Bond breaking and bond making in tetraoxygen: analysis of the O2(X3Sigma(g)-) + O2(X3Sigma(g)-) <==> O4 reaction using the electron pair localization function
Anthony Scemama, Michel Caffarel, Alejandro Ramírez-Solís
Physical Review Letters
|
May 17, 2011
Chaotic versus nonchaotic stochastic dynamics in Monte Carlo simulations: a route for accurate energy differences in N-body systems
Roland Assaraf, Michel Caffarel, A C Kollias
The Journal of Chemical Physics
|
July 9, 2016
Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Michel Caffarel, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Computational Chemistry
|
June 16, 2016
Quantum Monte Carlo with very large multideterminant wavefunctions
Anthony Scemama, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Computational Chemistry
|
January 5, 2013
Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond
Anthony Scemama, Michel Caffarel, Emmanuel Oseret, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
December 5, 2006
Maximum probability domains from Quantum Monte Carlo calculations
Anthony Scemama, Michel Caffarel, Andreas Savin
The Journal of Chemical Physics
|
February 2, 2015
Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
Emmanuel Giner, Anthony Scemama, Michel Caffarel
The Journal of Chemical Physics
|
August 7, 2010
Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo
Thomas Bouabça, Benoît Braïda, Michel Caffarel
The Journal of Chemical Physics
|
July 21, 2004
Electron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data
Anthony Scemama, Patrick Chaquin, Michel Caffarel
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 16, 2007
Improved Monte Carlo estimators for the one-body density
Roland Assaraf, Michel Caffarel, Anthony Scemama
The Journal of Physical Chemistry. A
|
September 2, 2009
Bond breaking and bond making in tetraoxygen: analysis of the O2(X3Sigma(g)-) + O2(X3Sigma(g)-) <==> O4 reaction using the electron pair localization function
Anthony Scemama, Michel Caffarel, Alejandro Ramírez-Solís
Physical Review Letters
|
May 17, 2011
Chaotic versus nonchaotic stochastic dynamics in Monte Carlo simulations: a route for accurate energy differences in N-body systems
Roland Assaraf, Michel Caffarel, A C Kollias
The Journal of Chemical Physics
|
July 9, 2016
Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Michel Caffarel, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Computational Chemistry
|
June 16, 2016
Quantum Monte Carlo with very large multideterminant wavefunctions
Anthony Scemama, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Computational Chemistry
|
January 5, 2013
Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond
Anthony Scemama, Michel Caffarel, Emmanuel Oseret, et al.
Page
of 3