Tiresia: a code for molecular electronic continuum states and photoionization

DOI10.1016/j.cpc.2023.109038OpenAlexW4389391262MaRDI QIDQ6204602

Piero Decleva, Sonia Coriani, Mauro Stener, Daniele Toffoli

Publication date: 28 March 2024

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2023.109038

zbMATH Keywords

B-spline basiselectronic continuumelectronic wavepacketsmolecular photoionization

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• A practical guide to splines
• \(R\)-matrix theory of atomic collisions. Application to atomic, molecular and optical processes.
• UKRmol+: a suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
• Multiconfigurational Quantum Chemistry
• ScaLAPACK Users' Guide

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