Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces

30 October 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


In a recent paper of this Journal (Tajti and Szalay, JCTC 2019, 15, 5523) we have shown that failures of the CC2 method to describe Rydberg excited states, as well as potential energy surfaces of certain valence excited states can be cured by spin-component scaled (SCS) versions SCS-CC2 and SOS-CC2 by a large extent. In this paper, the related and popular Second Order Algebraic Diagrammatic Construction (ADC(2)) method and its SCS variants are inspected with the previously established methodology. The results reflect the similarity of the CC2 and ADC(2) models, showing identical problems in the case of the canonical form and the same improvement when spin-component-scaling is applied.


excited states
Coupled Cluster
CCSD Calculations
Potential energy curves

Supplementary materials

ADC Paper Supporting Information


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