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AN ORTHOGONALIZATION-FREE PARALLELIZABLEFRAMEWORK FOR ALL-ELECTRON CALCULATIONS INDENSITY FUNCTIONAL THEORY Journal article
Bin Gao, Guanghui HU, Yang Kuang, Xin Liu. AN ORTHOGONALIZATION-FREE PARALLELIZABLEFRAMEWORK FOR ALL-ELECTRON CALCULATIONS INDENSITY FUNCTIONAL THEORY[J]. SIAM Journal on Scientific Computing, 2022, 44(3), B723-B745.
Authors:  Bin Gao;  Guanghui HU;  Yang Kuang;  Xin Liu
Favorite | TC[WOS]:6 TC[Scopus]:8  IF:3.0/3.2 | Submit date:2022/08/30
Density Functional Theory  All-electron Calculations  Total Energy Minimization  Orthogonalization-free  Scalability  
AN ORTHOGONALIZATION-FREE PARALLELIZABLE FRAMEWORK FOR ALL-ELECTRON CALCULATIONS IN DENSITY FUNCTIONAL THEORY Journal article
Gao, Bin, Hu, Guanghui, Kuang, Yang, Liu, Xin. AN ORTHOGONALIZATION-FREE PARALLELIZABLE FRAMEWORK FOR ALL-ELECTRON CALCULATIONS IN DENSITY FUNCTIONAL THEORY[J]. SIAM Journal on Scientific Computing, 2022, 44(3), B723-B745.
Authors:  Gao, Bin;  Hu, Guanghui;  Kuang, Yang;  Liu, Xin
Favorite | TC[WOS]:6 TC[Scopus]:8  IF:3.0/3.2 | Submit date:2022/08/05
All-electron Calculations  Density Functional Theory  Orthogonalization-free  Scalability  Total Energy Minimization