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The Journal of Chemical Physics|July 15, 2024
Stochastically accelerated perturbative triples correction in coupled cluster calculationsYann Damour, Alejandro Gallo, Anthony ScemamaThe Journal of Chemical Physics|July 9, 2021
Focal-point approach with pair-specific cusp correction for coupled-cluster theoryAndreas Irmler, Alejandro Gallo, Andreas GrüneisPhysical Review Letters|November 9, 2019
Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation TheoriesAndreas Irmler, Alejandro Gallo, Felix Hummel, et al.Nature Communications|October 14, 2025
Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large moleculesTobias Schäfer, Andreas Irmler, Alejandro Gallo, et al.The Journal of Chemical Physics|February 16, 2021
A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxidesAlejandro Gallo, Felix Hummel, Andreas Irmler, et al.The Journal of Chemical Physics|January 1, 2022
Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitrideTobias Schäfer, Alejandro Gallo, Andreas Irmler, et al.Journal of Chemical Theory and Computation|February 4, 2025
Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic LimitEvgeny Moerman, Alejandro Gallo, Andreas Irmler, et al.Faraday Discussions|August 22, 2024
CO adsorption on Pt(111) studied by periodic coupled cluster theoryJohanna P Carbone, Andreas Irmler, Alejandro Gallo, et al.Nano Letters|September 6, 2017
Protecting a Diamond Quantum Memory by Charge State ControlMatthias Pfender, Nabeel Aslam, Patrick Simon, et al.The Journal of Chemical Physics|October 29, 2025
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterialsMatthieu J Verstraete, Joao Abreu, Guillaume E Allemand, et al.Pageof 1