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The self-consistent field iteration for the Kohn-Sham equation of inhomogeneous systems
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The self-consistent field iteration for the Kohn-Sham equation of inhomogeneous systems

报告人:

Xingyu Gao, Institute of Applied Physics and Computational Mathematics

摘要:

Solving the Kohn-Sham equation is most computationally demanding in the first-principles calculations.

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