Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver

2008 ◽  
Vol 128 (16) ◽  
pp. 164113 ◽  
Author(s):  
Maho Nakata ◽  
Bastiaan J. Braams ◽  
Katsuki Fujisawa ◽  
Mituhiro Fukuda ◽  
Jerome K. Percus ◽  
...  
Keyword(s):  
Semidefinite Programming ◽  
Variational Calculation ◽  
Second Order ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density

scholarly journals Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm

2001 ◽  
Vol 114 (19) ◽  
pp. 8282-8292 ◽  
Author(s):  
Maho Nakata ◽  
Hiroshi Nakatsuji ◽  
Masahiro Ehara ◽  
Mitsuhiro Fukuda ◽  
Kazuhide Nakata ◽  
...  
Keyword(s):  
Semidefinite Programming ◽  
Second Order ◽  
Programming Algorithm ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Variational Calculations ◽  
Reduced Density

Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

2015 ◽  
Vol 143 (24) ◽  
pp. 244116 ◽  
Author(s):  
Rogelio Cuevas-Saavedra ◽  
Paul W. Ayers ◽  
Viktor N. Staroverov
Keyword(s):  
Second Order ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Exchange Correlation ◽  
Reduced Density

On the interpretative aspects of second-order reduced density matrices

2009 ◽  
Vol 4 (S3B) ◽  
pp. 689-696
Author(s):  
Darwin W. Smith ◽  
Everett G. Larson ◽  
Robert C. Morrison
Keyword(s):  
Second Order ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density

scholarly journals Response to “Comment on ‘Kohn–Sham exchange-correlation potentials from second-order reduced density matrices’” [J. Chem. Phys. 145, 037101 (2016)]

2016 ◽  
Vol 145 (3) ◽  
pp. 037102 ◽  
Author(s):  
Ilya G. Ryabinkin ◽  
Sviataslau V. Kohut ◽  
Rogelio Cuevas-Saavedra ◽  
Paul W. Ayers ◽  
Viktor N. Staroverov
Keyword(s):  
Chem Phys ◽  
Second Order ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Exchange Correlation ◽  
Reduced Density
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