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101 résultats

	Pour les 101 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

		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
		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
		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
		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
		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
		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
		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
		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
		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
		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
		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
		Unphysical Discontinuities, Intruder States and Regularization in GW Methods Enzo Monino , Pierre-Francois Loos Journal of Chemical Physics, 2022, 156 (23), pp.231101. ⟨10.1063/5.0089317⟩ Article dans une revue hal-03586690v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cumulant Green's function methods for molecules Pierre-François Loos , Antoine Marie , Abdallah Ammar 2024 Pré-publication, Document de travail hal-04479130v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap Pierre-François Loos , Filippo Lipparini , Denis Jacquemin Journal of Physical Chemistry Letters, 2023, 14 (49), pp.11069-11075. ⟨10.1021/acs.jpclett.3c03042⟩ Article dans une revue hal-04265734v1	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: Revising Reference Values with EOM-CC4 Pierre-Francois Loos , Filippo Lipparini , Devin A. Matthews , Aymeric Blondel , Denis Jacquemin Journal of Chemical Theory and Computation, 2022, 18 (7), pp.4418-4427. ⟨10.1021/acs.jctc.2c00416⟩ Article dans une revue hal-03655837v1	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 oscillator strengths and dipole moments of small molecules Amara Chrayteh , Aymeric Blondel , Pierre-Francois Loos , Denis Jacquemin Journal of Chemical Theory and Computation, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩ Article dans une revue hal-03018539v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies Cinthia Suellen , Renato Garcia Freitas , Pierre-Francois Loos , Denis Jacquemin Journal of Chemical Theory and Computation, 2019, 15 (8), pp.4581-4590. ⟨10.1021/acs.jctc.9b00446⟩ Article dans une revue hal-02289337v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Higher roots of the Schrodinger equation Pierre-Francois Loos 2020 Pré-publication, Document de travail hal-03075075v1	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
		Evaluating 0–0 Energies with Theoretical Tools: A Short Review Pierre-Francois Loos , Denis Jacquemin ChemPhotoChem, 2019, 3 (9), pp.684-696. ⟨10.1002/cptc.201900070⟩ Article dans une revue hal-02289339v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies Pierre-François Loos , Anthony Scemama , Ivan Duchemin , Denis Jacquemin , Xavier Blase Journal of Physical Chemistry Letters, 2020, 11 (9), pp.3536-3545. ⟨10.1021/acs.jpclett.0c00460⟩ Article dans une revue hal-02475410v1	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

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

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

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

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

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

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

Unphysical Discontinuities in GW Methods

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

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

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

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

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

Unphysical Discontinuities, Intruder States and Regularization in GW Methods

Cumulant Green's function methods for molecules

Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap

A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4

A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules

Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies

Higher roots of the Schrodinger equation

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

Evaluating 0–0 Energies with Theoretical Tools: A Short Review

Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies

Reference Vertical Excitation Energies for Transition Metal Compounds

Reference Energies for Cyclobutadiene: Automerization and Excited States