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The Journal of Chemical Physics
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June 8, 2020
The correlation factor approach: Combining density functional and wave function theory
Pierre-Olivier Roy, Étienne Cuierrier, Matthias Ernzerhof
Environmental Science & Technology
|
July 12, 2012
Life cycle impact assessment of terrestrial acidification: modeling spatially explicit soil sensitivity at the global scale
Pierre-Olivier Roy, Louise Deschênes, Manuele Margni
The Journal of Chemical Physics
|
October 20, 2023
The electron-centric approach to the exchange-correlation energy
Pierre-Olivier Roy, Tobias Henkes, Matthias Ernzerhof
The Journal of Chemical Physics
|
November 7, 2021
Constructing and representing exchange-correlation holes through artificial neural networks
Etienne Cuierrier, Pierre-Olivier Roy, Matthias Ernzerhof
The Journal of Physical Chemistry. A
|
February 21, 2023
Generating Exchange-Correlation Functionals with a Simplified, Self-Consistent Correlation Factor Model
Pierre-Olivier Roy, Etienne Cuierrier, Matthias Ernzerhof
The Journal of Chemical Physics
|
May 14, 2022
The factorization ansatz for non-local approximations to the exchange-correlation hole
Etienne Cuierrier, Pierre-Olivier Roy, Matthias Ernzerhof
The Journal of Chemical Physics
|
February 26, 2026
Spin localization in intermolecular complexes: A challenge for semi-local approximants for the embedding potential
Tanguy Englert, Pierre-Olivier Roy, Tomasz A Wesolowski
The Journal of Chemical Physics
|
November 8, 2022
The fourth-order expansion of the exchange hole and neural networks to construct exchange-correlation functionals
Etienne Cuierrier, Pierre-Olivier Roy, Rodrigo Wang, et al.
The Journal of Chemical Physics
|
December 1, 2025
The uncharted space of non-Hermitian solutions to the Hartree-Fock and Kohn-Sham equations
Matthias Ernzerhof, Mohamed Loutis, Pierre-Olivier Roy, et al.
Journal of Chemical Theory and Computation
|
October 6, 2025
Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example
Pierre-Olivier Roy, Mingxue Fu, Ronit Sarangi, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
June 8, 2020
The correlation factor approach: Combining density functional and wave function theory
Pierre-Olivier Roy, Étienne Cuierrier, Matthias Ernzerhof
Environmental Science & Technology
|
July 12, 2012
Life cycle impact assessment of terrestrial acidification: modeling spatially explicit soil sensitivity at the global scale
Pierre-Olivier Roy, Louise Deschênes, Manuele Margni
The Journal of Chemical Physics
|
October 20, 2023
The electron-centric approach to the exchange-correlation energy
Pierre-Olivier Roy, Tobias Henkes, Matthias Ernzerhof
The Journal of Chemical Physics
|
November 7, 2021
Constructing and representing exchange-correlation holes through artificial neural networks
Etienne Cuierrier, Pierre-Olivier Roy, Matthias Ernzerhof
The Journal of Physical Chemistry. A
|
February 21, 2023
Generating Exchange-Correlation Functionals with a Simplified, Self-Consistent Correlation Factor Model
Pierre-Olivier Roy, Etienne Cuierrier, Matthias Ernzerhof
The Journal of Chemical Physics
|
May 14, 2022
The factorization ansatz for non-local approximations to the exchange-correlation hole
Etienne Cuierrier, Pierre-Olivier Roy, Matthias Ernzerhof
The Journal of Chemical Physics
|
February 26, 2026
Spin localization in intermolecular complexes: A challenge for semi-local approximants for the embedding potential
Tanguy Englert, Pierre-Olivier Roy, Tomasz A Wesolowski
The Journal of Chemical Physics
|
November 8, 2022
The fourth-order expansion of the exchange hole and neural networks to construct exchange-correlation functionals
Etienne Cuierrier, Pierre-Olivier Roy, Rodrigo Wang, et al.
The Journal of Chemical Physics
|
December 1, 2025
The uncharted space of non-Hermitian solutions to the Hartree-Fock and Kohn-Sham equations
Matthias Ernzerhof, Mohamed Loutis, Pierre-Olivier Roy, et al.
Journal of Chemical Theory and Computation
|
October 6, 2025
Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example
Pierre-Olivier Roy, Mingxue Fu, Ronit Sarangi, et al.
Page
of 2