M-Chem a Modular Software Package for Molecular Simulation that Spans Scientific Domains

von Witek, Jagna
Veröffentlicht in: Molecular physics (2023)

Molecular Magnetizabilities Computed Via Finite Fields Assessing Alternatives to MP2 and Revisiting Magnetic Exaltations in Aromatic and Antiaromatic Species

von Stauch, Tim
Veröffentlicht in: Molecular physics (2021)

Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states

von Morrison, Adrian F
Veröffentlicht in: Journal of computational chemistry (2018)

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations

von Brabec, Jiri
Veröffentlicht in: Journal of computational chemistry (2016)

New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations

von Epifanovsky, Evgeny
Veröffentlicht in: Journal of computational chemistry (2013)