The journal of physical chemistry. A
Penguin: A Python-Based Program for Electronic Structure Calculations Based on Coupled Cluster Theory.
Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, Phillip Gustav Iuel Luno̷e Dünweber, Lars Henrik Olsen, Laust Rask, Georg Ingvartsen Junker, Rasmine Maria Hansen Knudsen, Kurt V Mikkelsen
Published: 202510.1021/acs.jpca.5c02513
Abstract
The Penguin program is an open-source Python program that enables molecular property and spectroscopy calculations using coupled cluster theory and perturbation theory approaches, such as cluster perturbation theory and Mo̷ller-Plesset perturbation t…
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