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Atomistix ToolKit is a further development of TranSIESTA-C, which in turn in based on the technology, models, and algorithms developed in the academic codes TranSIESTA, and McDCal, employing localized basis sets as developed in
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Brandbyge, Mads; Mozos, José-Luis; Ordejón, Pablo; Taylor, Jeremy; Stokbro, Kurt (2002). "Density-functional method for nonequilibrium electron transport".
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Soler, José M.; Artacho, Emilio; Gale, Julian D.; García, Alberto; Junquera, Javier; Ordejón, Pablo; Sánchez-Portal, Daniel (2002).
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A/S, and was later acquired by
QuantumWise following the Atomistix bankruptcy. QuantumWise was then acquired by
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Calculation of energy spectra, wave functions, electron densities, atomic forces, effective potentials etc.
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Calculation of transport properties of two-probe systems under an applied bias voltage
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electrode—nanostructure—electrode systems (two-probe systems)
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256:Taylor, Jeremy; Guo, Hong; Wang, Jian (2001).
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