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Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm.
J Chem Theory Comput. 2023 Dec 26;19(24):9025-9031. doi: 10.1021/acs.jctc.3c00989. Epub 2023 Dec 11.
J Chem Theory Comput. 2023.
PMID: 38081062
Free PMC article.
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics.
Pes F, Polack É, Mazzeo P, Dusson G, Stamm B, Lipparini F.
Pes F, et al.
J Phys Chem Lett. 2023 Nov 2;14(43):9720-9726. doi: 10.1021/acs.jpclett.3c02098. Epub 2023 Oct 25.
J Phys Chem Lett. 2023.
PMID: 37879072
Free PMC article.
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