Documentation
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Anglais (EN)

Anthony Scemama

Ingénieur de recherche au Laboratoire de Chimie et Physique Quantiques, Toulouse

82%

Libre accès

11

Documents

Affiliations actuelles

388706

Identifiants chercheurs

anthony-scemama
0000-0003-4955-7136
IdRef : 089017005
Google Scholar : https://scholar.google.fr/citations?user=_7uhMtQAAAAJ
Arxiv : scemama_a_1

Présentation

Domaines de recherche

Chimie théorique et/ou physique

Publications

713037

	Ground-and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality Yann Damour , Raúl Quintero-Monsebaiz , Michel Caffarel , Denis Jacquemin , Fábris Kossoski Journal of Chemical Theory and Computation, 2023, 19 (1), pp.221-234. ⟨10.1021/acs.jctc.2c01111⟩ Article dans une revue hal-03844802v1
	Diffusion Monte Carlo using domains in configuration space Roland Assaraf , Emmanuel Giner , Vijay Gopal Chilkuri , Pierre-Francois Loos , Anthony Scemama Physical Review B, 2023, 107 (3), pp.035130. ⟨10.1103/PhysRevB.107.035130⟩ Article dans une revue hal-03826402v1
	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
	QUESTDB: a database of highly-accurate excitation energies for the electronic structure community Mickaël Veril , Anthony Scemama , Michel Caffarel , Filippo Lipparini , Martial Boggio-Pasqua Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021, 11 (5), pp.e1517. ⟨10.1002/wcms.1517⟩ Article dans une revue hal-03032753v1
	Accurate full configuration interaction correlation energy estimates for five- and six-membered rings Yann Damour , Mickaël Véril , Fábris Kossoski , Michel Caffarel , Denis Jacquemin Journal of Chemical Physics, 2021, 155 (13), pp.134104. ⟨10.1063/5.0065314⟩ Article dans une revue hal-03315299v1
	Excited States From State Specific Orbital Optimized Pair Coupled Cluster Fábris Kossoski , Antoine Marie , Anthony Scemama , Michel Caffarel , Pierre-Francois Loos Journal of Chemical Theory and Computation, 2021, 17 (8), pp.4756-4768. ⟨10.1021/acs.jctc.1c00348⟩ Article dans une revue hal-03193676v2
	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

	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
	Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy Pierre-Francois Loos , Yann Damour , Abdallah Ammar , Michel Caffarel , Fábris Kossoski 2024 Pré-publication, Document de travail hal-04470263v1
	Important algorithms for CIPSI Anthony Scemama , Emmanuel Giner , Pierre-Francois Loos 2020 Pré-publication, Document de travail hal-03065485v1
	What can’t CIPSI do? Pierre-Francois Loos , Anthony Scemama , Emmanuel Giner 2020 Pré-publication, Document de travail hal-03074895v1