Publications of Evgeny Moerman

Moerman, E.; Miranda, H.; Gallo, A.; Irmler, A.; Schäfer, T.; Hummel, F.; Engel, M.; Kresse, G.; Scheffler, M.; Grüneis, A.: Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. Physical Review B 111 (12), L121202 (2025)

Moerman, E.; Gallo, A.; Irmler, A.; Schäfer, T.; Hummel, F.; Grüneis, A.; Scheffler, M.: Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit. Journal of Chemical Theory and Computation 21 (4), pp. 1865 - 1878 (2025)

Moerman, E.; Hummel, F.; Grüneis, A.; Irmler, A.; Scheffler, M.: Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions. The Journal of Open Source Software 7 (4), 4040 (2022)

Moerman, E.: An Open-Source Interface to MP2 and Coupled-Cluster Methods for Solids for Localized Basis Set Codes. NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany (2022)

Moerman, E.: Basis set and system size convergence of Equation-of-motion coupled-cluster band gaps for extended systems. Dissertation, Humboldt-Universität zu, Berlin (2024)

Moerman, E.; Scheffler, M.: Coupled-Cluster Theory for the Ground State and for Excitations. (2024)