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Quantum chemistry / Theoretical chemistry / Charge carriers / Quantum mechanics / Electron / Kohn–Sham equations / Runge–Gross theorem / Time-dependent density functional theory / Octopus / Physics / Chemistry / Density functional theory


Chapter 2 Quantum Transport Simulations Based on Time Dependent Density Functional Theory Thomas A. Niehaus and GuanHua Chen
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Document Date: 2012-10-15 23:42:18


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City

Liouville / /

Company

Hamiltonians / Van Voorhis / G.H. Chen / /

Currency

USD / TWD / /

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Facility

The University of Hong Kong / University of Regensburg / /

IndustryTerm

electronic device / finite systems / self energy / energy domain / open electronic systems / realistic molecular devices / time-independent real physical systems / metal-molecule-metal device model / energy domain methods / molecular energy levels / energy shift / chemical potential / electronic devices / given energy / molecular electronics / dependent chemical potential / e-e / electronic systems / chemical potentials / open electronic devices / correlated systems / /

OperatingSystem

Fermi / /

Organization

University of Regensburg / Department of Theoretical Physics / G.H. Chen Department of Chemistry / University of Hong Kong / /

Person

Thomas A. Niehaus / /

Position

representative / /

Technology

TDDFT algorithms / hybridization / simulation / /

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