On spectral quadrature for linear-scaling Density Functional Theory

2013 ◽  
Vol 584 ◽  
pp. 182-187 ◽  
Author(s):  
Phanish Suryanarayana
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Linear Scaling ◽  
Functional Theory

scholarly journals Linear scaling algorithm of real-space density functional theory of electrons with correlated overlapping domains

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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

scholarly journals Daubechies wavelets for linear scaling density functional theory

2014 ◽  
Vol 140 (20) ◽  
pp. 204110 ◽  
Author(s):  
Stephan Mohr ◽  
Laura E. Ratcliff ◽  
Paul Boulanger ◽  
Luigi Genovese ◽  
Damien Caliste ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Linear Scaling ◽  
Daubechies Wavelets ◽  
Functional Theory

scholarly journals Linear-scaling time-dependent density-functional theory in the linear response formalism

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Vol 139 (6) ◽  
pp. 064104 ◽  
Author(s):  
T. J. Zuehlsdorff ◽  
N. D. M. Hine ◽  
J. S. Spencer ◽  
N. M. Harrison ◽  
D. J. Riley ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Linear Response ◽  
Density Functional ◽  
Time Dependent ◽  
Linear Scaling ◽  
Functional Theory ◽  
Dependent Density
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