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#projector_augmented_wave_method

Projector augmented wave method

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.

Thu 27th

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Projector augmented wave method Linearized augmented-plane-wave method Hartree–Fock method Vienna Ab initio Simulation Package Molecular orbital theory Quantum Monte Carlo GW approximation Electronic band structure Tight binding Pseudopotential
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