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Improved Description of Charge Transfer Potential Energy Surfaces via Spin-Component Scaled CC2 and ADC(2) Methods
preprintrevised on 25.11.2020, 12:12 and posted on 25.11.2020, 13:19 by Attila Tajti, Balázs Kozma, Péter Szalay
The performance of spin-component scaled variants of the popular CC2 and ADC(2) methods is evaluated for CT states, following benchmark strategies of earlier studies. The results show the capability of spin-component scaled approaches to reduce the large errors of their regular counterparts to a significant extent.