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Better band gaps for wide-gap semiconductors from a locally corrected exchange-correlation potential that nearly eliminates self-interaction errors

机译：从局部校正的交换相关电位的宽间隙半导体的更好的带空隙几乎消除了自交互错误

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Prashant Singh; Manoj K Harbola; Duane D Johnson;
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1. Better band gaps for wide-gap semiconductors from a locally corrected exchange-correlation potential that nearly eliminates self-interaction errors [J] . Singh Prashant, Harbola Manoj K., Johnson Duane D. Journal of Physics. Condensed Matter . 2017,第42期

机译：从局部校正的交换相关电位的宽间隙半导体的更好的带空隙几乎消除了自交互错误
2. Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential [J] . Fabien Tran, Peter Blaha Physical review letters . 2009,第22期

机译：具有半局部交换相关势的半导体和绝缘子的准确带隙
3. Eliminating Symmetry Problems in Electronegativity Equalization and Correcting Self-Interaction Errors in Conceptual DFT [J] . von Szentpaly Laszlo Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2018,第23a24期

机译：消除概念DFT中电信级均衡和校正自交互误差的对称性问题
4. An Exchange-Correlation Potential With Built in Discontinuity and Correct Long Range Behavior [C] . José L. Gázquez, Jorge Garza, Rubicelia Vargas, Mexican Meeting on Mathematical and Experimental Physics . 2008

机译：具有内置不连续性和正确长距离行为的交换相关潜力
5. Optical characterization of wide-gap detector-grade semiconductors. [D] . Elshazly, Ezzat S. 2010

机译：宽间隙检测器级半导体的光学特性。
6. Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony [O] . Xiangyu Dai, Zhengfang Qian, Qiaolu Lin, 2020

机译：浓度对锑静压压力下单层半导体带间隙可调性的基准调查
7. Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods [O] . Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, 2020

机译：利用普通Zunger和局部缩放自相互作用校正方法研究偶极偏振力密度函数预测和水簇电离能的自相互作用误差研究

Better band gaps for wide-gap semiconductors from a locally corrected exchange-correlation potential that nearly eliminates self-interaction errors

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