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	Pour les 50 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		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 Journal of Chemical Physics, 2015, 142 (4), pp.044115. ⟨10.1063/1.4905528⟩ Article dans une revue hal-01136398v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Taming the fixed-node error in diffusion Monte Carlo via range separation Anthony Scemama , Emmanuel Giner , Anouar Benali , Pierre-Francois Loos Journal of Chemical Physics, 2020, 15 (17), pp.174107. ⟨10.1063/5.0026324⟩ Article dans une revue hal-02921286v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density Anthony Ferté , Emmanuel Giner , Julien Toulouse Journal of Chemical Physics, In press Article dans une revue hal-01990358v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects Emmanuel Giner , Celestino Angeli , Anthony Scemama , Jean-Paul Malrieu Computational and Theoretical Chemistry, 2017, 1116, pp.134-140. ⟨10.1016/j.comptc.2017.03.001⟩ Article dans une revue hal-01539066v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum Monte Carlo with very large multideterminant wavefunctions Anthony Scemama , Thomas Applencourt , Emmanuel Giner , Michel Caffarel Journal of Computational Chemistry, 2016, 37 (20), pp.1866-1875. ⟨10.1002/jcc.24382⟩ Article dans une revue hal-01358981v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A density-fitting implementation of the density-based basis-set correction method Andreas Hesselmann , Emmanuel Giner , Peter Reinhardt , Peter Knowles , Hans-Joachim Werner , et al. Journal of Computational Chemistry, In press, ⟨10.1002/jcc.27325⟩ Article dans une revue hal-04210752v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies Diata Traore , Emmanuel Giner , Julien Toulouse Journal of Chemical Physics, 2023, 158, pp.234107. ⟨10.1063/5.0156317⟩ Article dans une revue hal-04107625v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Relativistic short-range exchange energy functionals beyond the local-density approximation Julien Paquier , Emmanuel Giner , Julien Toulouse Journal of Chemical Physics, In press Article dans une revue hal-02480263v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimization of large determinant expansions in quantum Monte Carlo Abdallah Ammar , Emmanuel Giner , Anthony Scemama Journal of Chemical Theory and Computation, 2022, 18 (9), pp.5325-5336. ⟨10.1021/acs.jctc.2c00556⟩ Article dans une revue hal-03716808v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A basis-set error correction based on density-functional theory for strongly correlated molecular systems Emmanuel Giner , Anthony Scemama , Pierre-François Loos , Julien Toulouse Journal of Chemical Physics, 2020, 152, pp.174104. ⟨10.1063/5.0002892⟩ Article dans une revue hal-02458920v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Performance of a one-parameter correlation factor for transcorrelation: study on a series of second row atomic and molecular systems Werner Dobrautz , Aron Cohen , Ali Alavi , Emmanuel Giner Journal of Chemical Physics, 2022, 156 (23), pp.234108. ⟨10.1063/5.0088981⟩ Article dans une revue hal-03708604v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism Emmanuel Giner , Grégoire David , Anthony Scemama , Jean-Paul Malrieu Journal of Chemical Physics, 2016, 144 (6), pp.064101. ⟨10.1063/1.4940781⟩ Article dans une revue hal-01298011v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves Emmanuel Giner , Celestino Angeli , Yann Garniron , Anthony Scemama , Jean-Paul Malrieu Journal of Chemical Physics, 2017, 146 (22), pp.224108. ⟨10.1063/1.4984616⟩ Article dans une revue hal-01539065v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory Emmanuel Giner , Lorenzo Tenti , Celestino Angeli , Nicolas Ferré Journal of Chemical Theory and Computation, 2017, 13 (2), pp.475 - 487. ⟨10.1021/acs.jctc.6b00827⟩ Article dans une revue hal-01774487v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments? Emmanuel Giner , Diata Traore , Barthélemy Pradines , Julien Toulouse Journal of Chemical Physics, 2022, 155, pp.044109 Article dans une revue hal-03234580v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An efficient implementation of Slater-Condon rules Anthony Scemama , Emmanuel Giner [Research Report] UMR 5626, Laboratoire de Chimie et Physique Quantiques. 2013 Rapport hal-01539072v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate nonrelativistic ground-state energies of 3d transition metal atoms Anthony Scemama , Thomas Applencourt , Emmanuel Giner , Michel Caffarel Journal of Chemical Physics, 2014, 141 (24), pp.244110. ⟨10.1063/1.4903985⟩ Article dans une revue hal-01121736v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Numerical methods for computing ROHF ground states. Part I: SCF algorithms Robert Benda , Laurent Vidal , Emmanuel Giner , Eric Cancès 2021 Pré-publication, Document de travail hal-03228618v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in H n rings and chains Emmanuel Giner , Gian Luigi Bendazzoli , Stefano Evangelisti , Antonio Monari Journal of Chemical Physics, 2013, 138 (7), pp.074315/1-074315/8. ⟨10.1063/1.4792197⟩ Article dans une revue hal-00874125v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model Diata Traore , Emmanuel Giner , Julien Toulouse Journal of Chemical Physics, 2022, 156, pp.044113. ⟨10.1063/5.0076128⟩ Article dans une revue hal-03391682v3	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density-Based Basis-Set Incompleteness Correction for GW Methods Pierre-François Loos , Barthélémy Pradines , Anthony Scemama , Emmanuel Giner , Julien Toulouse Journal of Chemical Theory and Computation, 2020, 16 (2), pp.1018. ⟨10.1021/acs.jctc.9b01067⟩ Article dans une revue hal-02346969v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Using CIPSI nodes in diffusion Monte Carlo Michel Caffarel , Thomas Applencourt , Emmanuel Giner , Anthony Scemama Recent Progress in Quantum Monte Carlo, 1234, ACS Publications, pp.15-46, 2016, 9780841231795. ⟨10.1021/bk-2016-1234.ch002⟩ Chapitre d'ouvrage hal-01539067v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Selected configuration interaction dressed by perturbation Yann Garniron , Anthony Scemama , Emmanuel Giner , Michel Caffarel , Pierre-François Loos Journal of Chemical Physics, 2018, 149 (6), pp.064103. ⟨10.1063/1.5044503⟩ Article dans une revue hal-01858534v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chemically Accurate Excitation Energies With Small Basis Sets Emmanuel Giner , Anthony Scemama , Julien Toulouse , Pierre-Francois Loos Journal of Chemical Physics, 2019, 151 (14), pp.144118. ⟨10.1063/1.5122976⟩ Article dans une revue hal-02289341v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A new form of transcorrelated Hamiltonian inspired by range-separated DFT Emmanuel Giner 2021 Pré-publication, Document de travail hal-03118407v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs Yann Garniron , Thomas Applencourt , Kevin Gasperich , Anouar Benali , Anthony Ferté , et al. Journal of Chemical Theory and Computation, 2019, 15 (6), pp.3591-3609. ⟨10.1021/acs.jctc.9b00176⟩ Article dans une revue hal-02045595v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method Diata Traore , Julien Toulouse , Emmanuel Giner 2024 Pré-publication, Document de travail hal-04475187v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections Yuan Yao , Emmanuel Giner , Tyler Anderson , Julien Toulouse , C. Umrigar Journal of Chemical Physics, 2021, 155 (20), pp.204104. ⟨10.1063/5.0072296⟩ Article dans une revue hal-03453822v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions Emmanuel Giner , Roland Assaraf , Julien Toulouse Molecular Physics, 2016, 114, pp.910. ⟨10.1080/00268976.2016.1149630⟩ Article dans une revue hal-01260326v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The “Fermi hole” and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function Emmanuel Giner , Lorenzo Tenti , Celestino Angeli , Jean-Paul Malrieu Journal of Chemical Physics, 2016, 145 (12), pp.124114. ⟨10.1063/1.4963018⟩ Article dans une revue hal-01401590v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions

Taming the fixed-node error in diffusion Monte Carlo via range separation

Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects

Quantum Monte Carlo with very large multideterminant wavefunctions

A density-fitting implementation of the density-based basis-set correction method

Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies

Relativistic short-range exchange energy functionals beyond the local-density approximation

Optimization of large determinant expansions in quantum Monte Carlo

A basis-set error correction based on density-functional theory for strongly correlated molecular systems

Performance of a one-parameter correlation factor for transcorrelation: study on a series of second row atomic and molecular systems

A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory

Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?

An efficient implementation of Slater-Condon rules

Accurate nonrelativistic ground-state energies of 3d transition metal atoms

Numerical methods for computing ROHF ground states. Part I: SCF algorithms

Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in H n rings and chains

Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model

Density-Based Basis-Set Incompleteness Correction for GW Methods

Using CIPSI nodes in diffusion Monte Carlo

Selected configuration interaction dressed by perturbation

Chemically Accurate Excitation Energies With Small Basis Sets

A new form of transcorrelated Hamiltonian inspired by range-separated DFT

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method

Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections

Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions

The “Fermi hole” and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function