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Emmanuel Giner

Showing results (1-10 of 47) with videos related to

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The Journal of Chemical Physics|February 28, 2021
A new form of transcorrelated Hamiltonian inspired by range-separated DFTEmmanuel Giner
The Journal of Chemical Physics|March 17, 2016
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposalEmmanuel Giner, Celestino Angeli
The Journal of Chemical Physics|October 3, 2015
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theoryEmmanuel Giner, Celestino Angeli
The Journal of Chemical Physics|February 2, 2022
Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional modelDiata Traore, Emmanuel Giner, Julien Toulouse
Journal of Chemical Theory and Computation|August 23, 2022
Optimization of Large Determinant Expansions in Quantum Monte CarloAbdallah Ammar, Emmanuel Giner, Anthony Scemama
The Journal of Chemical Physics|June 8, 2020
Relativistic short-range exchange energy functionals beyond the local-density approximationJulien Paquier, Emmanuel Giner, Julien Toulouse
Journal of Chemical Theory and Computation|November 18, 2025
Prediction of the Aqueous Redox Properties of Functionalized Quinones Using a New QM/MM Variational FormulationMaxime Labat, Guillaume Jeanmairet, Emmanuel Giner
The Journal of Chemical Physics|May 7, 2022
Basis-set correction for coupled-cluster estimation of dipole momentsDiata Traore, Julien Toulouse, Emmanuel Giner
The Journal of Chemical Physics|March 3, 2019
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair densityAnthony Ferté, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics|July 3, 2024
Coupling molecular density functional theory with converged selected configuration interaction methods to study excited states in aqueous solutionMaxime Labat, Emmanuel Giner, Guillaume Jeanmairet
Pageof 5

Showing results (1-10 of 47) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|February 28, 2021
A new form of transcorrelated Hamiltonian inspired by range-separated DFTEmmanuel Giner
The Journal of Chemical Physics|March 17, 2016
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposalEmmanuel Giner, Celestino Angeli
The Journal of Chemical Physics|October 3, 2015
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theoryEmmanuel Giner, Celestino Angeli
The Journal of Chemical Physics|February 2, 2022
Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional modelDiata Traore, Emmanuel Giner, Julien Toulouse
Journal of Chemical Theory and Computation|August 23, 2022
Optimization of Large Determinant Expansions in Quantum Monte CarloAbdallah Ammar, Emmanuel Giner, Anthony Scemama
The Journal of Chemical Physics|June 8, 2020
Relativistic short-range exchange energy functionals beyond the local-density approximationJulien Paquier, Emmanuel Giner, Julien Toulouse
Journal of Chemical Theory and Computation|November 18, 2025
Prediction of the Aqueous Redox Properties of Functionalized Quinones Using a New QM/MM Variational FormulationMaxime Labat, Guillaume Jeanmairet, Emmanuel Giner
The Journal of Chemical Physics|May 7, 2022
Basis-set correction for coupled-cluster estimation of dipole momentsDiata Traore, Julien Toulouse, Emmanuel Giner
The Journal of Chemical Physics|March 3, 2019
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair densityAnthony Ferté, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics|July 3, 2024
Coupling molecular density functional theory with converged selected configuration interaction methods to study excited states in aqueous solutionMaxime Labat, Emmanuel Giner, Guillaume Jeanmairet
Pageof 5