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cond-mat.mtrl-sci2005
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…
cond-mat.stat-mech2005
Critical line of an n-component cubic model
Wenan Guo, Xiaofeng Qian, Henk W. J. Blöte +1
We consider a special case of the n-component cubic model on the square lattice, for which an expansion exists in Ising-like graphs. We construct a transfer matrix and perform a fi…