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Computational chemistry / Density functional theory / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / Relaxation / Graphene / Chemistry / Physics / Quantum mechanics


Time-dependent density functional theory for open systems with a positivitypreserving decomposition scheme for environment spectral functions RuLin Wang, Xiao Zheng, YanHo Kwok, Hang Xie, GuanHua Chen, and ChiYung Yam Ci
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Document Date: 2015-04-21 18:39:15


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File Size: 2,54 MB

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City

Santos / New York / Jauho / Beijing / Frauenheim / Rosario / /

Company

Cambridge University Press / BT / H. Press S. A. / China Hefei National Laboratory / C 2015 AIP Publishing LLC / AIP Publishing LLC / /

Country

Guinea / China / /

Currency

USD / /

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Facility

University of Science / The University of Hong Kong / University Grant Council / /

IndustryTerm

prototypical model systems / atomic chain / real-time electronic dynamics / self-energy arising / open quantum systems / energy decomposition analysis / open-shell systems / spaced energy points / chemical phenomena / energy points / prototypical nanoelectronic device / 2D open systems / energy / periodic systems / theoretical tools / open electronic systems / nanoelectronic devices / energy dissipation / energy point / lesser self-energy / realistic systems / 2D bilayer graphene systems / energy dependence / chemical / numerical solution / /

MarketIndex

set 15 / /

OperatingSystem

PDOS / Fermi / /

Organization

Cambridge University / National Science Foundation / Beijing Computational Science Research Center / U.S. Securities and Exchange Commission / University of Science and Technology of China / Hefei / Department of Chemistry / Synergetic Innovation Center of Quantum Information and Quantum Physics / University Grant Council / Hong Kong Research Grant Council / University of Hong Kong / /

Person

Y. J. Yan / Y. Kwok / L. Y. Meng / X. Zheng / Y. Zhang / Xiao Zheng / Y. Yam / F. Jiang / H. Kwok / J. Shao / Y. Mo / R. X. Xu / Hamiltonian / F. Wang / C. Y. Yam / H. Xie / X. Cui / D. Hou / G. H. Chen / /

Position

nearest-neighbor tight-binding model / /

Product

Lorentzian / /

ProvinceOrState

New York / Anhui / Nova Scotia / /

PublishedMedium

The Journal of Chemical Physics / /

TVStation

WBL / /

Technology

Technology of China / simulation / /

URL

http /

SocialTag