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quant-ph2011
Hohenberg-Kohn Theorem for Coulomb Type Systems
Aihui Zhou
Density functional theory (DFT) has become a basic tool for the study of electronic structure of matter, in which the Hohenberg-Kohn theorem plays a fundamental role in the develop…
math.NA2011
Numerical Analysis of Finite Dimensional Approximations of Kohn-Sham Models
Huajie Chen, Xingao Gong, Lianhua He +2
In this paper, we study finite dimensional approximations of Kohn-Sham models, which are widely used in electronic structure calculations. We prove the convergence of the finite di…