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The Journal of Chemical Physics|September 16, 2019
Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theoryAndreas Irmler, Andreas GrüneisThe Journal of Chemical Physics|September 1, 2019
Multipole-based distance-dependent screening of Coulomb integralsAndreas Irmler, Fabian PaulyThe Journal of Chemical Physics|July 9, 2021
Focal-point approach with pair-specific cusp correction for coupled-cluster theoryAndreas Irmler, Alejandro Gallo, Andreas GrüneisJournal of Chemical Theory and Computation|August 7, 2018
Robust Periodic Fock Exchange with Atom-Centered Gaussian Basis SetsAndreas Irmler, Asbjörn M Burow, Fabian PaulyNature Communications|October 14, 2025
Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large moleculesTobias Schäfer, Andreas Irmler, Alejandro Gallo, et al.Physical 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.Physical Review Letters|November 17, 2023
Averting the Infrared Catastrophe in the Gold Standard of Quantum ChemistryNikolaos Masios, Andreas Irmler, Tobias Schäfer, 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.Journal of Chemical Theory and Computation|July 8, 2024
Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron GasNikolaos Masios, Felix Hummel, Andreas Grüneis, 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.Pageof 2