Anthony Scemama

118 Rte De Narbonne Toulouse, Haute Garonne
Toulouse, 31062, France

Last Updated: 09/26/2026

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Found 62 publications

Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C17H12) Dications and Trications: C2Hxq+ Release Pathways.

Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C17H12) Dications and Trications: C2Hxq+ Release Pathways.

Journal: The journal of physical chemistry. A
Published: February 18, 2026

QMCkl: A kernel library for quantum Monte Carlo applications.

QMCkl: A kernel library for quantum Monte Carlo applications.

Journal: The Journal of chemical physics
Published: December 11, 2025

Doubly ionised 2,4-imidazolidinedione (hydantoin) dissociations induced by electron collision, fragmentation thresholds vs. vertical excitation energies.

Doubly ionised 2,4-imidazolidinedione (hydantoin) dissociations induced by electron collision, fragmentation thresholds vs. vertical excitation energies.

Journal: Physical chemistry chemical physics : PCCP
Published: September 24, 2025

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

Journal: The Journal of chemical physics
Published: March 27, 2025

Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations.

Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations.

Journal: The Journal of chemical physics
Published: March 26, 2025

Selected Configuration Interaction for Resonances.

Selected Configuration Interaction for Resonances.

Journal: The journal of physical chemistry letters
Published: August 06, 2024

Long-Range Configuration Interaction with an Ab Initio Short-Range Correction and an Asymptotic Lower Bound†.

Long-Range Configuration Interaction with an Ab Initio Short-Range Correction and an Asymptotic Lower Bound†.

Journal: The journal of physical chemistry. A
Published: July 18, 2024

Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures.

Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures.

Journal: The Journal of chemical physics
Published: June 25, 2024

Modified Expression for the Hamiltonian Expectation Value Exploiting the Short-Range Behavior of the Wave Function.

Modified Expression for the Hamiltonian Expectation Value Exploiting the Short-Range Behavior of the Wave Function.

Journal: The journal of physical chemistry. A
Published: June 07, 2024

Stochastically accelerated perturbative triples correction in coupled cluster calculations.

Stochastically accelerated perturbative triples correction in coupled cluster calculations.

Journal: The Journal of chemical physics
Published: May 28, 2024

State-Specific Coupled-Cluster Methods for Excited States.

State-Specific Coupled-Cluster Methods for Excited States.

Journal: Journal of chemical theory and computation
Published: May 15, 2024

Compactification of determinant expansions via transcorrelation.

Compactification of determinant expansions via transcorrelation.

Journal: The Journal of chemical physics
Published: May 06, 2024
Showing 1-12 of 62

Last Updated: 09/26/2026