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Theoretical chemistry / Chemical bonding / Density functional theory / Hybrid functional / Energy minimization / Molecular orbital / Quantum chemistry composite methods / Chemistry / Computational chemistry / Quantum chemistry


8514 J. Phys. Chem. A 2004, 108, Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach
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Document Date: 2010-12-19 08:35:05


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ZINDO/RPA HF / Neural Networks Correctionsa Ab / /

Country

China / /

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Facility

Institute of Functional Material Chemistry / The UniVersity of Hong Kong / Northeast Normal University / /

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large systems / lowest excited-state energy / chemical accuracy / optical absorption energy / heavyelement-containing systems / calculated excitation energy / experimental absorption energy / raw calculated absorption energy / chemical properties / energy gap / absorption energy / universal computing model / lowest-energy transition / universal computing machine / point energy / simplest universal computing machine / ionization energy / predictive tools / indispensable research tools / energy / /

Organization

Northeast Normal University / Changchun / LaiHo Wong / LiHong Hu / ChakYu Chan / Zhongmin Su / † and GuanHua Chen* Department of Chemistry / Faculty of Chemistry / Institute of Functional Material Chemistry / UniVersity of Hong Kong / /

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Al Si / Methodology As / /

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Corresponding Author / /

ProvinceOrState

New Hampshire / /

Technology

neural network / /

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