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Ab initio quantum transport calculations using plane waves
Institution:1. Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, E-20018 San Sebastian, Spain;2. IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao, Spain;3. State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China;4. Lawrence Berkeley National Laboratory (LBNL), Berkeley, USA;1. Microwave Laboratory, Indian Institute of Technology Delhi, New Delhi 11016, India;2. Formerly at Department of Physics, Indian Institute of Technology Delhi, New Delhi 11016, India;1. The Bonch-Bruevich Saint Petersburg State University of Telecommunications, 22 - 1 Prospekt Bolshevikov, 193232 Saint-Petersburg, Russia;2. Saint Petersburg State University, Faculty of Physics, 3 Ulyanovskaya st., 198504 Peterhof, Saint-Petersburg, Russia;1. National Research Centre “Kurchatov Institute”, Kurchatov Square 1, Moscow, 123182, Russia;2. Nano-Bio Spectroscopy Group and ETSF, Universidad Del País Vasco, CFM CSIC-UPV/EHU, San Sebastian, 20018, Spain;3. Institute for Spectroscopy of Russian Academy of Sciences, Fizicheskaya Street 5, Troitsk, Moscow, 108840, Russia;4. Kintech Lab Ltd., 3rd Khoroshevskaya Street 12, Moscow, 123298, Russia
Abstract:
Keywords:Simulation of quantum transport  Density functional theory  Scattering states  Plane waves  Tunneling regime
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