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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

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