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cond-mat1995★ 208 cited
Analysis of atomic-orbital basis sets from the projection of plane-wave results
Daniel Sanchez-Portal, Emilio Artacho, Jose M. Soler
The projection of the eigenfunctions obtained in standard plane-wave first-principle calculations is used for analyzing atomic-orbital basis sets. The "spilling" defining the error…
cond-mat1995★ 460 cited
Projection of plane-wave calculations into atomic orbitals
Daniel Sanchez-Portal, Emilio Artacho, Jose M. Soler
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and pr…