Real-space density-functional calculations for Si divacancies with large size supercell models

2006 ◽  
Vol 376-377 ◽  
pp. 196-199 ◽  
Author(s):  
J.-I. Iwata ◽  
A. Oshiyama ◽  
K. Shiraishi
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Real Space ◽  
Space Density ◽  
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Vol 117 (11) ◽  
pp. 112811 ◽  
Author(s):  
Atsushi Oshiyama ◽  
Jun-Ichi Iwata ◽  
Kazuyuki Uchida ◽  
Yu-Ichiro Matsushita
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Large Scale ◽  
Real Space ◽  
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scholarly journals Linear scaling algorithm of real-space density functional theory of electrons with correlated overlapping domains

2012 ◽  
Vol 183 (8) ◽  
pp. 1664-1673 ◽  
Author(s):  
Nobuko Ohba ◽  
Shuji Ogata ◽  
Takahisa Kouno ◽  
Tomoyuki Tamura ◽  
Ryo Kobayashi
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Real Space ◽  
Linear Scaling ◽  
Functional Theory ◽  
Space Density ◽  
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Kohn–Sham approach for fast hybrid density functional calculations in real-space numerical grid methods

2018 ◽  
Vol 230 ◽  
pp. 21-26 ◽  
Author(s):  
Jaewook Kim ◽  
Sungwoo Kang ◽  
Jaechang Lim ◽  
Sang-Yeon Hwang ◽  
Woo Youn Kim
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Real Space ◽  
Numerical Grid ◽  
Hybrid Density Functional
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