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摘要
This paper investigates the augmented plane wave methods which are widely used in full-potential electronic structure calculations. These methods introduce basis functions that describe different regions using different discretization schemes. We construct a nonconforming method based on this idea and present an a priori error analysis for both linear Schrodinger type equations and nonlinear Kohn-Sham equations. Some numerical experiments are presented to support our theory.
- 出版日期2015-6
