Comparison of two genres for linear scaling in density functional theory: Purification and density matrix minimization methods

2005 ◽  
Vol 122 (8) ◽  
pp. 084114 ◽  
Author(s):  
Daniel K. Jordan ◽  
David A. Mazziotti
Keyword(s):  
Density Functional Theory ◽  
Density Matrix ◽  
Density Functional ◽  
Linear Scaling ◽  
Functional Theory ◽  
Minimization Methods

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

Linear Scaling Constrained Density Functional Theory in CONQUEST

2011 ◽  
Vol 7 (4) ◽  
pp. 884-889 ◽  
Author(s):  
Alex M. P. Sena ◽  
Tsuyoshi Miyazaki ◽  
David R. Bowler
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Linear Scaling ◽  
Functional Theory
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