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Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
An extension of the formulation of the atomic‐orbital‐based response theory of Larsen et al., JCP 113, 8909 (2000) is presented. This new framework has been implemented in LSDalton and allows for the use of Kohn‐Sham ...