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Physical Chemistry

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled-Cluster Type Methods

Balázs Kozma, Attila Tajti, Baptiste Demoulin, Róbert Izsák, Marcel Nooijen, Péter Szalay

Version 1 posted 18 February 2020

644

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1

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Theoretical and Computational Chemistry

Comment on “Localized and Delocalized States of a Diamine Cation: Resolution of a Controversy”

Gabriel Phun, Bryan Wong

Version 1 posted 01 November 2024

123

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Theoretical and Computational Chemistry

Linear-Scaling Local Natural Orbital-based Full Triples Treatment in Coupled-Cluster Theory

Andy Jiang, Henry Schaefer III, Justin Turney

Version 1 posted 23 December 2024

344

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