The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions

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dc.creatorBlöchl, Peter E.
dc.creatorFörst, Clemens J.
dc.creatorSchimpl, Johannes
dc.date2002-01-02
dc.date2002-07-12
dc.date.accessioned2026-07-07T02:44:00Z
dc.date.available2026-07-07T02:44:00Z
dc.descriptionA brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector augmented wave method is an all-electron method for efficient ab-initio molecular dynamics simulations with the full wave functions. It extends and combines the traditions of existing augmented wave methods and the pseudopotential approach. Without sacrificing efficiency, the PAW method avoids transferability problems of the pseudopotential approach and it has been valuable to predict properties that depend on the full wave functions.
dc.description17 pages 2 multipart figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0201015
dc.identifierhttp://arxiv.org/abs/cond-mat/0201015
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/18737
dc.subjectMaterials Science
dc.titleThe Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions
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