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Alessandro Erba

universita di torino

38H-index
147Paper Count
6.9KCitation Count
Published Papers 67
Publication Date
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Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-25
err0
errOAAI
errMateusz Mojsak; Filippo Bodo; Alessandro Erba; Adam A. L. Michalchuk; Elfi Kraka
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Atomistic insights on the elasticity and Raman spectra of C-S-H from quantum-mechanical simulations
errJournal of the American Ceramic Society
IF3.8
err2025-11-23
err0
PREAI
errJefferson Maul; Davide Mitoli; Alessandro Erba; Ricardo P. S. Dutra
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Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
errOAAI
errMitoli, Davide; Petrov, Maria; Maul, Jefferson; Stoll, William B.; Ruggiero, Michael T.; Erba, Alessandro
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The Electron-Density Distribution of UCl4 and Its Topology from X-ray Diffraction
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-11
err0
PREAI
errCossard, Alessandro; Gianopoulos, Christopher G.; Desmarais, Jacques K.; Casassa, Silvia; Gatti, Carlo; Erba, Alessandro; Pinkerton, A. Alan
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Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study
errJOURNAL OF THE AMERICAN CERAMIC SOCIETY
IF3.8
err2024-02-28
err1
PREAI
errMaul, Jefferson; Mitoli, Davide; Erba, Alessandro; Dutra, Ricardo P. S.
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Chemical bonding in Uranium-based materials: A local vibrational mode case study of Cs2UO2Cl4 and UCl4 crystals
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-01-26
err6
errOAAI
errBodo, Filippo; Erba, Alessandro; Kraka, Elfi; Moura, Renaldo T., Jr.
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Generalized Kohn-Sham approach for the electronic band structure of spin-orbit coupled materials
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-01-16
err3
errOAAI
errDesmarais, Jacques K.; Ambrogio, Giacomo; Vignale, Giovanni; Erba, Alessandro; Pittalis, Stefano
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CRYSTALpytools: A Python infrastructure for the CRYSTAL code
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2023-11-01
err6
errOAAI
errCamino, Bruno; Zhou, Huanyu; Ascrizzi, Eleonora; Boccuni, Alberto; Bodo, Filippo; Cossard, Alessandro; Mitoli, Davide; Ferrari, Anna Maria; Erba, Alessandro; Harrison, Nicholas M.
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Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-17
err1
errOAAI
errDesmarais, Jacques K.; De Frenza, Alessandro; Erba, Alessandro
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Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach
errCRYSTAL GROWTH & DESIGN
IF3.4
err2023-04-04
err5
errOAAI
errMitoli, Davide; Maul, Jefferson; Erba, Alessandro
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Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-14
err4
errOAAI
errDesmarais, Jacques K.; Boccuni, Alberto; Flament, Jean-Pierre; Kirtman, Bernard; Erba, Alessandro
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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-11
err137
errOAAI
errErba, Alessandro; Desmarais, Jacques K.; Casassa, Silvia; Civalleri, Bartolomeo; Dona, Lorenzo; Bush, Ian J.; Searle, Barry; Maschio, Lorenzo; Edith-Daga, Loredana; Cossard, Alessandro; Ribaldone, Chiara; Ascrizzi, Eleonora; Marana, Naiara L.; Flament, Jean-Pierre; Kirtman, Bernard
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Role of spin currents on electron-electron interaction in the quantum spin Hall phase
errPHYSICAL REVIEW B
IF3.7
err2022-11-17
err7
errOAAI
errComaskey, William P.; Bodo, Filippo; Erba, Alessandro; Mendoza-Cortes, Jose L.; Desmarais, Jacques K.
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Anharmonic Coupling of Stretching Vibrations in Ice: A Periodic VSCF and VCI Description
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-23
err15
PREAI
errSchireman, Raymond G.; Maul, Jefferson; Erba, Alessandro; Ruggiero, Michael T.
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Spin current density functional theory of Weyl semimetals
errPHYSICAL REVIEW B
IF3.7
err2022-03-08
err13
PREAI
errBodo, Filippo; Desmarais, Jacques K.; Erba, Alessandro
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Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-21
err9
errOAAI
errDesmarais, Jacques K.; Erba, Alessandro; Flament, Jean-Pierre; Kirtman, Bernard
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Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-21
err5
errOAAI
errDesmarais, Jacques K.; Erba, Alessandro; Flament, Jean-Pierre; Kirtman, Bernard
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Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride
errMOLECULES
IF4.6
err2021-07-12
err12
errOAAI
errCossard, Alessandro; Casassa, Silvia; Gatti, Carlo; Desmarais, Jacques K.; Erba, Alessandro
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Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-05-27
err23
errOAAI
errDesmarais, Jacques K.; Komorovsky, Stanislav; Flament, Jean-Pierre; Erba, Alessandro
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RETRACTION: Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories (Retraction of Vol 151, art no 074108, 2019)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-16
err0
PREAI
errDesmarais, Jacques K.; Flament, Jean-Pierre; Erba, Alessandro
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Research Directions

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Co-authors
Cooperation Journals
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John S. Tse
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R
Roberto Dovesi
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D
Daniel M. Mittleman
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