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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 wikiPageLength "7610".
- Projector_augmented_wave_method wikiPageOutDegree "19".
- Projector_augmented_wave_method wikiPageRevisionID "675149505".
- Projector_augmented_wave_method wikiPageWikiLink ABINIT.
- Projector_augmented_wave_method wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- Projector_augmented_wave_method wikiPageWikiLink Bessel_function.
- Projector_augmented_wave_method wikiPageWikiLink CASTEP.
- Projector_augmented_wave_method wikiPageWikiLink Category:Computational_science.
- Projector_augmented_wave_method wikiPageWikiLink Category:Condensed_matter_physics.
- Projector_augmented_wave_method wikiPageWikiLink Category:Electronic_structure_methods.
- Projector_augmented_wave_method wikiPageWikiLink Density_functional_theory.
- Projector_augmented_wave_method wikiPageWikiLink Heisenberg_picture.
- Projector_augmented_wave_method wikiPageWikiLink Linear_map.
- Projector_augmented_wave_method wikiPageWikiLink Muffin-tin_approximation.
- Projector_augmented_wave_method wikiPageWikiLink Nuclear_magnetic_resonance.
- Projector_augmented_wave_method wikiPageWikiLink ONETEP.
- Projector_augmented_wave_method wikiPageWikiLink Pseudopotential.
- Projector_augmented_wave_method wikiPageWikiLink Pwpaw.
- Projector_augmented_wave_method wikiPageWikiLink Quantum_ESPRESSO.
- Projector_augmented_wave_method wikiPageWikiLink Schrödinger_picture.
- Projector_augmented_wave_method wikiPageWikiLink Vienna_Ab_initio_Simulation_Package.
- Projector_augmented_wave_method wikiPageWikiLink Wave_function.
- Projector_augmented_wave_method wikiPageWikiLinkText "Projector augmented wave method".
- Projector_augmented_wave_method wikiPageWikiLinkText "projector augmented wave (PAW) method".
- Projector_augmented_wave_method wikiPageWikiLinkText "projector augmented wave method".
- Projector_augmented_wave_method wikiPageUsesTemplate Template:Cite_arXiv.
- Projector_augmented_wave_method wikiPageUsesTemplate Template:Cite_journal.
- Projector_augmented_wave_method wikiPageUsesTemplate Template:Reflist.
- 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 hypernym Technique.
- Projector_augmented_wave_method type Area.
- Projector_augmented_wave_method type TopicalConcept.
- Projector_augmented_wave_method type Area.
- Projector_augmented_wave_method type Mechanic.
- Projector_augmented_wave_method type Method.
- Projector_augmented_wave_method type Physic.
- 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 "Projector augmented wave method".
- Projector_augmented_wave_method sameAs Q7249488.
- Projector_augmented_wave_method sameAs PAW法.
- Projector_augmented_wave_method sameAs m.0j463n8.
- Projector_augmented_wave_method sameAs Q7249488.
- Projector_augmented_wave_method wasDerivedFrom Projector_augmented_wave_method?oldid=675149505.
- Projector_augmented_wave_method isPrimaryTopicOf Projector_augmented_wave_method.