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The Projector Augmented Wave Method
Authors: Lauri Lehtovaara
Ref.: in "Fundamentals of Time-Dependent Functional Theory", edited by M.A.L. Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio, chapter 20 (Springer-Verlag, Berlin), 391-400 (2012)
Abstract: In this chapter, we give a brief introduction to PAW, and on its use within TDDFT. We start by describing how the PAW wavefunctions are formed from three different components: (i) smooth pseudo wavefunctions, (ii) smooth atomic pseudo wavefunctions, and (iii) atomic all-electron wavefunctions. Then we show how operators in the PAW method are defined. The rest of the chapter briefly reviews how PAW method can be used for DFT and TDDFT
Citations: 0 (Google scholar)
DOI: 10.1007/978-3-642-23518-4_20
Bibtex:
@incollection{Lehtovaara_2012,
doi = {10.1007/978-3-642-23518-4_20},
url = {https://doi.org/10.1007%2F978-3-642-23518-4_20},
year = 2012,
publisher = {Springer Berlin Heidelberg},
pages = {391--400},
author = {Lauri Lehtovaara},
title = {The Projector Augmented Wave Method},
booktitle = {Fundamentals of Time-Dependent Density Functional Theory}
}