Abstract
Most current implementations of time-dependent density-functional theory are designed to deal with the lowest-lying portion of the spectrum (often just a few of the very first discrete lines) of systems consisting of up to a few tens of atoms. We introduce a method that allows for the simulation of extended portions of the spectrum of systems virtually of the same size as possibly treatable with state-of-art ground-state DFT techniques.
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© 2012 Springer-Verlag Berlin Heidelberg
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Baroni, S., Gebauer, R. (2012). The Liouville-Lanczos Approach to Time-Dependent Density-Functional (Perturbation) Theory. In: Marques, M., Maitra, N., Nogueira, F., Gross, E., Rubio, A. (eds) Fundamentals of Time-Dependent Density Functional Theory. Lecture Notes in Physics, vol 837. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-23518-4_19
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DOI: https://doi.org/10.1007/978-3-642-23518-4_19
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Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-23517-7
Online ISBN: 978-3-642-23518-4
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