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- Projector_augmented_wave_method 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.".
- Projector_augmented_wave_method wikiPageExternalLink PhysRevB.82.075116.
- Projector_augmented_wave_method wikiPageExternalLink gpaw.
- Projector_augmented_wave_method wikiPageExternalLink www.sphinxlib.de.
- Projector_augmented_wave_method wikiPageExternalLink paw.
- Projector_augmented_wave_method wikiPageID "34917462".
- Projector_augmented_wave_method wikiPageRevisionID "594964577".
- Projector_augmented_wave_method hasPhotoCollection Projector_augmented_wave_method.
- Projector_augmented_wave_method subject Category:Computational_science.
- Projector_augmented_wave_method subject Category:Condensed_matter_physics.
- Projector_augmented_wave_method subject Category:Electronic_structure_methods.
- Projector_augmented_wave_method type Ability105616246.
- Projector_augmented_wave_method type Abstraction100002137.
- Projector_augmented_wave_method type Cognition100023271.
- Projector_augmented_wave_method type ElectronicStructureMethods.
- Projector_augmented_wave_method type Know-how105616786.
- Projector_augmented_wave_method type Method105660268.
- Projector_augmented_wave_method type PsychologicalFeature100023100.
- Projector_augmented_wave_method comment "The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations.".
- Projector_augmented_wave_method label "PAW法".
- Projector_augmented_wave_method label "Projector augmented wave method".
- Projector_augmented_wave_method sameAs PAW法.
- Projector_augmented_wave_method sameAs m.0j463n8.
- Projector_augmented_wave_method sameAs Q7249488.
- Projector_augmented_wave_method sameAs Q7249488.
- Projector_augmented_wave_method sameAs Projector_augmented_wave_method.
- Projector_augmented_wave_method wasDerivedFrom Projector_augmented_wave_method?oldid=594964577.
- Projector_augmented_wave_method isPrimaryTopicOf Projector_augmented_wave_method.