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On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation

, 2020
It is found that imaginary time propagation method can effectively deliver a convergent result in solving Kohn–Sham equation, but a sufficient long simulation is needed to reach an accurate enough result, while the self-consistent field iteration method ...
Yangjie Hu
semanticscholar   +1 more source

Nonlinear Partial Differential Equations on Graphs

, 2018
Reika Fukuizumi   +3 more
semanticscholar   +1 more source

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