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102 résultats

	Pour les 102 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 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

		Factors Governing Electron Capture by Small Disulfide Loops in Two-Cysteine Peptides Élise Dumont , Pierre-François Loos , Xavier Assfeld Journal of Physical Chemistry B, 2008, 112 (43), pp.13661-13669. ⟨10.1021/jp806465e⟩ Article dans une revue istex hal-01116240v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		State-Specific Coupled-Cluster Methods for Excited States Yann Damour , Anthony Scemama , Denis Jacquemin , Fábris Kossoski , Pierre-Francois Loos 2024 Pré-publication, Document de travail hal-04387158v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		QCMATH: Mathematica modules for electronic structure calculations Enzo Monino , Antoine Marie , Pierre-François Loos 2023 Pré-publication, Document de travail hal-04191016v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Connections between many-body perturbation and coupled-cluster theories Raúl Quintero-Monsebaiz , Enzo Monino , Antoine Marie , Pierre-François Loos Journal of Chemical Physics, 2023, 157 (23), pp.231102. ⟨10.1063/5.0130837⟩ Article dans une revue hal-03814626v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		State-Specific Configuration Interaction for Excited States Fábris Kossoski , Pierre-François Loos Journal of Chemical Theory and Computation, 2023, 19 (8), pp.2258-2269. ⟨10.1021/acs.jctc.3c00057⟩ Article dans une revue hal-03843259v1	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
		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
		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
		DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science Andrew Michael Teale , Trygve Helgaker , Andreas Savin , Carlo Adano , Bálint Aradi , et al. Physical Chemistry Chemical Physics, 2022, 24 (47), pp.28700-28781. ⟨10.1039/D2CP02827A⟩ Article dans une revue hal-03770771v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies Rudraditya Sarkar , Pierre-Francois Loos , Martial Boggio-Pasqua , Denis Jacquemin Journal of Chemical Theory and Computation, 2022, 18 (4), pp.2418-2436. ⟨10.1021/acs.jctc.1c01197⟩ Article dans une revue hal-03462586v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies Roberto Orlando , Pina Romaniello , Pierre-François Loos Journal of Chemical Physics, 2023, 159 (18), pp.184113. ⟨10.1063/5.0176898⟩ Article dans une revue hal-04201951v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation Elise Dumont , Pierre-François Loos , Adele D. Laurent , Xavier Assfeld Journal of Chemical Theory and Computation, 2008, 4 (8), pp.1171-1173. ⟨10.1021/ct800161m⟩ Article dans une revue hal-01116239v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states Hugh Burton , Alex Thom , Pierre-François Loos Journal of Chemical Physics, 2019, 150 (4), pp.041103. ⟨10.1063/1.5085121⟩ Article dans une revue hal-02004027v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Capturing static and dynamic correlation with $\Delta \text{NO}$-MP2 and $\Delta \text{NO}$-CCSD Joshua W. Hollett , Pierre-Francois Loos Journal of Chemical Physics, 2020, 152 (1), pp.014101. ⟨10.1063/1.5140669⟩ Article dans une revue hal-02289342v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unphysical Discontinuities in GW Methods Mickaël Veril , Pina Romaniello , Arjan Berger , Pierre-François Loos Journal of Chemical Theory and Computation, 2018, 14 (10), pp.5220-5228. ⟨10.1021/acs.jctc.8b00745⟩ Article dans une revue hal-01912209v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks Pierre-Francois Loos , Anthony Scemama , Aymeric Blondel , Yann Garniron , Michel Caffarel , et al. Journal of Chemical Theory and Computation, 2018, 14 (8), pp.4360 - 4379. ⟨10.1021/acs.jctc.8b00406⟩ Article dans une revue hal-01858532v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations Giuseppe M.J. Barca , Pierre-François Loos Journal of Chemical Physics, 2017, 147 (2), pp.024103. ⟨10.1063/1.4991733⟩ Article dans une revue hal-01583509v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Pierre-François Loos , Elise Dumont , Adele D. Laurent , Xavier Assfeld Chemical Physics Letters, 2009, 475 (1-3), pp.120-123. ⟨10.1016/j.cplett.2009.05.041⟩ Article dans une revue istex hal-01116187v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Important algorithms for CIPSI Anthony Scemama , Emmanuel Giner , Pierre-Francois Loos 2020 Pré-publication, Document de travail hal-03065485v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Recurrence relations for four-electron integrals over Gaussian basis functions Giuseppe M. J. Barca , Pierre-François Loos Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, 76, pp.147-165, 2018, Advances in Quantum Chemistry, 978-0-12-813002-5. ⟨10.1016/bs.aiq.2017.03.004⟩ Chapitre d'ouvrage hal-01679417v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The performance of CIPSI on the ground state electronic energy of benzene Pierre-Francois Loos , Yann Damour , Anthony Scemama Journal of Chemical Physics, 2020, 153 (17), pp.176101. ⟨10.1063/5.0027617⟩ Article dans une revue hal-02922278v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Wigner molecule at extremely low densities: a numerically exact study Miguel Escobar Azor , Léa Brooke , Stefano Evangelisti , Thierry Leininger , Pierre-François Loos , et al. SciPost Physics Core, 2019, 1, pp.001. ⟨10.21468/SciPostPhysCore.1.1.001⟩ Article dans une revue hal-02346988v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Parity-Time Symmetry in Hartree–Fock Theory Hugh G. A. Burton , Alex J. W. Thom , Pierre-François Loos Journal of Chemical Theory and Computation, 2019, 15 (8), pp.4374-4385. ⟨10.1021/acs.jctc.9b00289⟩ Article dans une revue hal-02076169v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A weight-dependent local correlation density-functional approximation for ensembles Pierre-François Loos , Emmanuel Fromager Journal of Chemical Physics, 2020, 152 (21), pp.214101. ⟨10.1063/5.0007388⟩ Article dans une revue hal-02767551v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Scrutinizing GW-Based Methods Using the Hubbard Dimer Stefano Di Sabatino , Pierre-Francois Loos , Pina Romaniello Frontiers in Chemistry, 2021, 9, pp.751054. ⟨10.3389/fchem.2021.751054⟩ Article dans une revue hal-03315304v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Diffusion Monte Carlo using domains in configuration space Roland Assaraf , Emmanuel Giner , Vijay Gopal Chilkuri , Pierre-Francois Loos , Anthony Scemama , et al. Physical Review B, 2023, 107 (3), pp.035130. ⟨10.1103/PhysRevB.107.035130⟩ Article dans une revue hal-03826402v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds Elise Dumont , Pierre-Francois Loos , Adele D. Laurent , Xavier Assfeld International Journal of Quantum Chemistry Symposium, 2010, 110 (3), pp.513-523. ⟨10.1002/qua.22072⟩ Article dans une revue istex hal-01116181v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain Pierre-François Loos , Julien Preat , Adele D. Laurent , Catherine Michaux , Denis Jacquemin , et al. Journal of Chemical Theory and Computation, 2008, 4 (4), pp.637-645. ⟨10.1021/ct700188w⟩ Article dans une revue hal-01389039v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reference Vertical Excitation Energies for Transition Metal Compounds Denis Jacquemin , Fábris Kossoski , Franck Gam , Martial Boggio-Pasqua , Pierre-François Loos Journal of Chemical Theory and Computation, 2023, 19 (23), pp.8782-8800. ⟨10.1021/acs.jctc.3c01080⟩ Article dans une revue hal-04224542v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reference Energies for Cyclobutadiene: Automerization and Excited States Enzo Monino , Martial Boggio-Pasqua , Anthony Scemama , Denis Jacquemin , Pierre-Francois Loos Journal of Physical Chemistry A, 2022, 126 (28), pp.4664-4679. ⟨10.1021/acs.jpca.2c02480⟩ Article dans une revue hal-03638102v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Factors Governing Electron Capture by Small Disulfide Loops in Two-Cysteine Peptides

State-Specific Coupled-Cluster Methods for Excited States

QCMATH: Mathematica modules for electronic structure calculations

Connections between many-body perturbation and coupled-cluster theories

State-Specific Configuration Interaction for Excited States

Selected configuration interaction dressed by perturbation

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

Chemically Accurate Excitation Energies With Small Basis Sets

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states

Capturing static and dynamic correlation with $\Delta \text{NO}$-MP2 and $\Delta \text{NO}$-CCSD

Unphysical Discontinuities in GW Methods

A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks

Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks

Important algorithms for CIPSI

Recurrence relations for four-electron integrals over Gaussian basis functions

The performance of CIPSI on the ground state electronic energy of benzene

A Wigner molecule at extremely low densities: a numerically exact study

Parity-Time Symmetry in Hartree–Fock Theory

A weight-dependent local correlation density-functional approximation for ensembles

Scrutinizing GW-Based Methods Using the Hubbard Dimer

Diffusion Monte Carlo using domains in configuration space

Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds

Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain

Reference Vertical Excitation Energies for Transition Metal Compounds

Reference Energies for Cyclobutadiene: Automerization and Excited States