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Full-Text Articles in Physics
Teaching College Physics To A Blind Student, Michelle Parry, Mark Brazier, Ephraim Fischbach
Teaching College Physics To A Blind Student, Michelle Parry, Mark Brazier, Ephraim Fischbach
Chemistry & Physics Faculty Publications
No abstract provided.
Comparison Of The Projector Augmented-Wave, Pseudopotential, And Linearized Augmented-Plane-Wave Formalisms For Density-Functional Calculations Of Solids, N. A. W. Holzwarth, G. E. Matthews, Rodney Dunning, A. R. Tackett, Y. Zeng
Comparison Of The Projector Augmented-Wave, Pseudopotential, And Linearized Augmented-Plane-Wave Formalisms For Density-Functional Calculations Of Solids, N. A. W. Holzwarth, G. E. Matthews, Rodney Dunning, A. R. Tackett, Y. Zeng
Chemistry & Physics Faculty Publications
The projector augmented-wave (PAW) method was developed by Blöchl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his "soft pseudopotential'' formalism and in earlier work by Blöchl in his "generalized separable potentials,'' and has been successfully …