Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

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Authors: Adrián Gómez Pueyo, Miguel A. L. Marques, Angel Rubio, Alberto Castro

Journal title: Journal of Chemical Theory and Computation

Journal number: 14/6

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 3040-3052

DOI identifier: 10.1021/acs.jctc.8b00197

ISSN: 1549-9618