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Large-scale stochastic propagation method beyond the sequential approach

Fu, Zhichang et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
The $O(N)$ stochastic propagation method, which relies on the numerical solution of the time-dependent Schrödinger equation using random initial states, is widely used in large-scale first-principles calculations. In this work, we eliminate the conventional sequential computation of intermediate sta
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