Partitioned Real-Space Density Functional Calculations of Bielectrode Systems under Bias Voltage and Electric Field

2001 ◽  
Vol 86 (3) ◽  
pp. 540-543 ◽  
Author(s):  
N. Nakaoka ◽  
K. Tada ◽  
S. Watanabe ◽  
H. Fujita ◽  
K. Watanabe
Keyword(s):  
Electric Field ◽  
Bias Voltage ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Real Space ◽  
Space Density

Large-scale real-space density-functional calculations: Moiré-induced electron localization in graphene

2015 ◽  
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 ◽  
Electron Localization ◽  
Space Density

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 ◽  
Overlapping Domains

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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