Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units

2014 ◽  
Vol 36 (3) ◽  
pp. 164-170 ◽  
Author(s):  
Takeshi Yoshikawa ◽  
Hiromi Nakai
Keyword(s):  
Divide And Conquer ◽  
Linear Scaling ◽  
Graphical Processing Units ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Graphical Processing

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory

2007 ◽  
Vol 126 (15) ◽  
pp. 154108 ◽  
Author(s):  
Sonia Coriani ◽  
Stinne Høst ◽  
Branislav Jansík ◽  
Lea Thøgersen ◽  
Jeppe Olsen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Linear Scaling ◽  
Molecular Response ◽  
Response Theory ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Automated error control in divide-and-conquer self-consistent field calculations

2018 ◽  
Vol 39 (15) ◽  
pp. 909-916 ◽  
Author(s):  
Masato Kobayashi ◽  
Toshikazu Fujimori ◽  
Tetsuya Taketsugu
Keyword(s):  
Error Control ◽  
Divide And Conquer ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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