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- Q7249488 subject Q7139566.
- Q7249488 subject Q8411523.
- Q7249488 subject Q8790102.
- Q7249488 abstract "The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations. It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional theory calculations to be performed with greater computational efficiency.Valence wavefunctions tend to have rapid oscillations near ion cores due to the requirement that they be orthogonal to core states; this situation is problematic because it requires many Fourier components (or in the case of grid-based methods, a very fine mesh) to describe the wavefunctions accurately. The PAW approach addresses this issue by transforming these rapidly oscillating wavefunctions into smooth wavefunctions which are more computationally convenient, and provides a way to calculate all-electron properties from these smooth wavefunctions. This approach is somewhat reminiscent of a change from the Schrödinger picture to the Heisenberg picture.".
- Q7249488 wikiPageExternalLink PhysRevB.82.075116.
- Q7249488 wikiPageExternalLink gpaw.
- Q7249488 wikiPageExternalLink www.sphinxlib.de.
- Q7249488 wikiPageExternalLink paw.
- Q7249488 wikiPageWikiLink Q1048589.
- Q7249488 wikiPageWikiLink Q17096266.
- Q7249488 wikiPageWikiLink Q207643.
- Q7249488 wikiPageWikiLink Q209402.
- Q7249488 wikiPageWikiLink Q219637.
- Q7249488 wikiPageWikiLink Q2362761.
- Q7249488 wikiPageWikiLink Q4033170.
- Q7249488 wikiPageWikiLink Q5008880.
- Q7249488 wikiPageWikiLink Q547605.
- Q7249488 wikiPageWikiLink Q6932011.
- Q7249488 wikiPageWikiLink Q7072746.
- Q7249488 wikiPageWikiLink Q7139566.
- Q7249488 wikiPageWikiLink Q7262785.
- Q7249488 wikiPageWikiLink Q769463.
- Q7249488 wikiPageWikiLink Q7928305.
- Q7249488 wikiPageWikiLink Q8411523.
- Q7249488 wikiPageWikiLink Q8790102.
- Q7249488 wikiPageWikiLink Q898601.
- Q7249488 wikiPageWikiLink Q900653.
- Q7249488 comment "The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations.".
- Q7249488 label "Projector augmented wave method".