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Journal of Chemical Theory and Computation
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December 5, 2017
One-Step Treatment of Spin-Orbit Coupling and Electron Correlation in Large Active Spaces
Bastien Mussard, Sandeep Sharma
The Journal of Chemical Physics
|
August 24, 2019
Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
Cairedine Kalai, Bastien Mussard, Julien Toulouse
Journal of Chemical Theory and Computation
|
December 4, 2015
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
Carlos Campañá, Bastien Mussard, Tom K Woo
The Journal of Chemical Physics
|
February 23, 2015
Basis convergence of range-separated density-functional theory
Odile Franck, Bastien Mussard, Eleonora Luppi, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation
Bastien Mussard, Péter G Szalay, János G Ángyán
The Journal of Chemical Physics
|
April 24, 2015
Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights
Bastien Mussard, Peter Reinhardt, János G Ángyán, et al.
The Journal of Chemical Physics
|
June 8, 2015
Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)]
Bastien Mussard, Peter Reinhardt, János G Ángyán, 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.
Journal of Chemical Theory and Computation
|
December 10, 2019
Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method
Szymon Śmiga, Ireneusz Grabowski, Mateusz Witkowski, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Cheap and Near Exact CASSCF with Large Active Spaces
James E T Smith, Bastien Mussard, Adam A Holmes, et al.
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of 2
Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 5, 2017
One-Step Treatment of Spin-Orbit Coupling and Electron Correlation in Large Active Spaces
Bastien Mussard, Sandeep Sharma
The Journal of Chemical Physics
|
August 24, 2019
Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
Cairedine Kalai, Bastien Mussard, Julien Toulouse
Journal of Chemical Theory and Computation
|
December 4, 2015
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
Carlos Campañá, Bastien Mussard, Tom K Woo
The Journal of Chemical Physics
|
February 23, 2015
Basis convergence of range-separated density-functional theory
Odile Franck, Bastien Mussard, Eleonora Luppi, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation
Bastien Mussard, Péter G Szalay, János G Ángyán
The Journal of Chemical Physics
|
April 24, 2015
Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights
Bastien Mussard, Peter Reinhardt, János G Ángyán, et al.
The Journal of Chemical Physics
|
June 8, 2015
Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)]
Bastien Mussard, Peter Reinhardt, János G Ángyán, 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.
Journal of Chemical Theory and Computation
|
December 10, 2019
Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method
Szymon Śmiga, Ireneusz Grabowski, Mateusz Witkowski, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Cheap and Near Exact CASSCF with Large Active Spaces
James E T Smith, Bastien Mussard, Adam A Holmes, et al.
Page
of 2