Focal-Point Analysis to Achieve Accurate CCSD(T) Data Set References for Static Polarizabilities.
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DOI: 10.1021/acs.jctc.3c00025
Abstract: Static polarizability is an important ingredient for describing optical phenomena, intermolecular interactions, etc. It also offers a way to gauge the accuracy of the electronic structure methods. However, polarizability data sets that include a large… read more here.
Keywords: reference data; analysis achieve; point analysis; focal point ... See more keywords