Abstract
DFT and TDDFT calculations are computationally intensive, and therefore, many different strategies are employed to reduce the computational burden. As the cost of a (TD)DFT calculation depends heavily on the number of degrees of freedom and active electrons, both should be minimized to speed up calculations while still reproducing the chemical and physical properties of interest.
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© 2012 Springer-Verlag Berlin Heidelberg
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Lehtovaara, L. (2012). The Projector Augmented Wave Method. 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_20
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DOI: https://doi.org/10.1007/978-3-642-23518-4_20
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