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Celestino Angeli

centre national de la recherche scientifique (cnrs)

37H-index
158Paper Count
1.1WCitation Count
Published Papers 61
Publication Date
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Unravelling the luminescence spectrum of garnet grossular var. tsavorite: The role of chromium (III), manganese (II) and misattribution of vanadium (II)
errJOURNAL OF LUMINESCENCE
IF3.6
err2025-01-01
err0
errOAAI
errIdini, A.; Argazzi, R.; Frau, F.; Fantauzzi, M.; Angeli, C.
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Quantum information reveals that orbital-wise correlation is essentially classical in natural orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-12-27
err0
errOAAI
errMateria, Davide; Ratini, Leonardo; Angeli, Celestino; Guidoni, Leonardo
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Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-04
err1
PREAI
errTenti, Lorenzo; Peeters, Stefan; Giner, Emmanuel; Angeli, Celestino
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Mapping of Huckel zigzag carbon nanotubes onto independent polyene chains: Application to periodic nanotubes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-06
err1
errOAAI
errFrancois, Gregoire; Angeli, Celestino; Bendazzoli, Gian Luigi; Brumas, Veronique; Evangelisti, Stefano; Berger, J. Arjan
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Unique one-body position operator for periodic systems
errPHYSICAL REVIEW B
IF3.7
err2022-06-06
err9
errOAAI
errEvangelisti, Stefano; Abu-Shoga, Faten; Angeli, Celestino; Bendazzoli, Gian Luigi; Berger, J. Arjan
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The localization spread and polarizability of rings and periodic chains
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-23
err4
errOAAI
errAngeli, Celestino; Bendazzoli, Gian Luigi; Evangelisti, Stefano; Berger, J. Arjan
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OpenMolcas: From Source Code to Insight
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-02-23
err53
PREAI
errKollmar, Christian; Sivalingam, Kantharuban; Helmich-Paris, Benjamin; Angeli, Celestino; Neese, Frank
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A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-06-13
err31
errOAAI
errGiner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul
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Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-02-03
err5
errOAAI
errGiner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Ferre, Nicolas
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Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-02-02
err102
errOAAI
errFreitag, Leon; Knecht, Stefan; Angeli, Celestino; Reiher, Markus
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The Fermi hole and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-09-29
err5
PREAI
errGiner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Malrieu, Jean-Paul
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Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-03-10
err11
PREAI
errGiner, Emmanuel; Angeli, Celestino
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Photoionization of furan from the ground and excited electronic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-02-25
err22
errOAAI
errPonzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Doslic, Nada; Decleva, Piero
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Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies
errINORGANIC CHEMISTRY
IF4.7
err2015-12-09
err62
errOAAI
errOzarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria
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Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-09-28
err18
errOAAI
errGiner, Emmanuel; Angeli, Celestino
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Electronic Reorganization Triggered by Electron Transfer: The Intervalence Charge Transfer of a Fe3+/Fe2+ Bimetallic Complex
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-03-05
err15
PREAI
errDomingo, Alex; Angeli, Celestino; de Graaf, Coen; Robert, Vincent
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Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-07-30
err43
PREAI
errRonca, Enrico; Angeli, Celestino; Belpassi, Leonardo; De Angelis, Filippo; Tarantelli, Francesco; Pastore, Mariachiara
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Improving the Calculation of Magnetic Coupling Constants in MRPT Methods
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2014-07-03
err20
errOAAI
errSpivak, Mariano; Angeli, Celestino; Calzado, Carmen J.; de Graaf, Coen
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Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-06-11
err173
PREAI
errGozem, Samer; Melaccio, Federico; Valentini, Alessio; Filatov, Michael; Huix-Rotllant, Miquel; Ferre, Nicolas; Manuel Frutos, Luis; Angeli, Celestino; Krylov, Anna I.; Granovsky, Alexander A.; Lindh, Roland; Olivucci, Massimo
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Donald G. Truhlar
H-index: 187 · Papers: 1.9K
F
Frank Neese
H-index: 141 · Papers: 977
F
Filippo De Angelis
H-index: 111 · Papers: 609
H
Hans Ågren
H-index: 102 · Papers: 1.6K
L
Laura Gagliardi
H-index: 97 · Papers: 1.1K
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