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20032021
most citedThe Gap-Tooth Method in Particle Simulations

115 citations · 290 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2005★ 86 cited

Time-Dependent Density Functional Theory with Ultrasoft Pseudopotential: Real-Time Electron Propagation across Molecular Junction

Xiaofeng Qian, Ju Li, Xi Lin +1

A practical computational scheme based on time-dependent density functional theory (TDDFT) and ultrasoft pseudopotential (USPP) is developed to study electron dynamics in real time…