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• W2049449080 abstract "We present an ab initio self-consistent method for the electronic transport of nanoscale junctions under finite bias. Our method is based on density functional theory using real-space pseudopotentials. The scattering wave function is obtained by solving a set of linear equations with a sparse coefficient matrix. Our method does not require a matrix inversion. We apply the method to a Na or Mg atom ``connected'' to two planar electrodes. Good agreement with previous work is obtained." @default.
• W2049449080 created "2016-06-24" @default.
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• W2049449080 date "2006-05-24" @default.
• W2049449080 modified "2023-09-24" @default.
• W2049449080 title "Real-space pseudopotential method for electron transport properties of nanoscale junctions" @default.
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• W2049449080 doi "https://doi.org/10.1103/physrevb.73.195118" @default.
• W2049449080 hasPublicationYear "2006" @default.
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