Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides

Journal of Chemical Theory and Computation - Tập 9 Số 7 - Trang 2950-2958 - 2013
Wenqing Li1, Christian F. J. Walther1, Agnieszka Kuc1, Thomas Heine1
1School of Engineering and Science, Jacobs University Bremen, Campus Ring 1, 28759 Bremen, Germany

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