A numerical method for calculating the Green’s function arising from electronic structure theory
نویسندگان
چکیده
We developed a fast numerical method for complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronicstructure) theory in nanoscale materials. The method is named shifted Conjugate Orthogonal Conjugate Gradient (shifted COCG) method. The formulation is given and several numerical aspects are discussed.
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تاریخ انتشار 2008