المؤلفون: Aleksandra Leszczyk (10506455), Mihály Máté (11886481), Örs Legeza (1286643), Katharina Boguslawski (1286640)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Neuroscience, Physiology, Evolutionary Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, potential energy surfaces, experimental reference data, electronic wave functions, computationally inexpensive way, avoided crossing regions, produce accurate results, pair coupled cluster, coupled cluster doubles, molecules featuring single, conventional single, accurate theoretical, various small, test system, spectroscopic constants, quadruple bonds, polynomial cost, hydrogen chains, hextuple bond, dissociation pathway, describe static, breaking processes, barrier heights

Relation: https://figshare.com/articles/journal_contribution/Assessing_the_Accuracy_of_Tailored_Coupled_Cluster_Methods_Corrected_by_Electronic_Wave_Functions_of_Polynomial_Cost/17704039

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00284.s001