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Density functional theory / Quantum mechanics / Partial differential equations / Equations / Time-dependent density functional theory / Schrödinger equation / Dirac delta function / Relaxation / Runge–Gross theorem / Physics / Chemistry / Mathematical analysis


Time-dependent density functional theory for quantum transport Yanho Kwok, Yu Zhang, and GuanHua Chen∗ Department of Chemistry, The University of Hong Kong (Dated: March 22, 2013) Throughout the last few decades, the r
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Document Date: 2015-04-22 02:27:57


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Liouville / A. Aspuru / Rosario / /

Company

Molecular Electronics / /

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pence / /

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Reorganization / /

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The University of Hong Kong / University Grant Council / /

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energy levels / energy band / large systems / large realistic devices / time-domain lesser self-energy / self-energy / self-energy accounting / energy level / real-time evolution / semiconductor devices / lesser self-energy / energy depenhere / energy structures / energy-discretized first tier / higher chemical potential side / energy structure / electronic devices / chemical potential / realistic systems / electronics / real physical systems / energy domain steady state simulation / larger systems / energy / energy level shifting / /

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DOS / Fermi / /

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University Grant Council / Hong Kong Research Grant Council / Yanho Kwok / Yu Zhang / and GuanHua Chen∗ Department of Chemistry / University of Hong Kong / /

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M. Elstner / U. Kleinekath / T. Frauenheim / B. Popescu / G. Seifert / P. B. Woiczikowski / P. Lugli / S. Suhai / F. Della Sala / /

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Rt / /

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Hamiltonian / /

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The Journal of Chemical Physics / Advanced Materials / Condensed Matter / /

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WBL / /

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quantum dots / semiconductor devices / simulation / 3G / /

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