S. Cohen, J.C. Liu, et al.
MRS Spring Meeting 1999
We apply a mixed-basis formulation of pseudopotential total-energy electronic structure calculations in the context of iterative diagonalization techniques. The formulation combines a small set of auxiliary functions to describe the localized part of the wave function with a plane-wave basis set. The method is tested on low-symmetry configurations of interstitial oxygen in silicon. This method provides accuracy comparable to plane-wave basis-set calculations and requires less computational effort. Therefore, it appears to be a promising tool for the description of the electronic structure of systems with localized valence electrons. © 1992 The American Physical Society.
S. Cohen, J.C. Liu, et al.
MRS Spring Meeting 1999
Kafai Lai, Alan E. Rosenbluth, et al.
SPIE Advanced Lithography 2007
Frank Stem
C R C Critical Reviews in Solid State Sciences
Shaoning Yao, Wei-Tsu Tseng, et al.
ADMETA 2011