SELF-CONSISTENCY

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Self-consistent assessment of Li^(+) ion cathodes:Theory vs.experiments被引量：2
《Journal of Energy Chemistry》2021年第8期229-241,I0006,共14页Hongjie Xu Weidong Xiao Zhuo Wang Junhua Hu Guosheng Shao 
supported in part by the 1000 Talents Program of China;the Zhengzhou Materials Genome Institute;the National Natural Science Foundation of China(No.51001091,51571182,111174256,91233101,51602094,11274100);the Fundamental Research Program from the Ministry of Science and Technology of China(No.2014CB931704);the Program for Science&Technology Innovation Talents in the Universities of Henan Province(18HASTIT009)。
Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4) and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While gre...
关键词：Li-ion batteries Intercalation-type oxide cathodes Ab initio approaches SELF-CONSISTENCY Density functional theory 
Fully Self-Consistency in Relativistic Random Phase Approximation
《Chinese Physics Letters》2012年第11期40-42,共3页YANG Ding CAO Li-Gang MA Zhong-Yu 
Supported by the National Natural Science Foundation of China under Grant Nos 11175216,11275018;the National Basic Research Program of China under Grant No 2013CB834404.
Fully self-consistent relativistic random phase approximation(RRPA)is built on the relativistic mean field ground state with a non-linear relativistic Lagrangian.The consistency requires that the same effective intera...
关键词：RELATIVISTIC CONSISTENCY APPROXIMATION 
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