VARIATIONAL APPROACH TO ELECTRONIC STRUCTURE CALCULATIONS ON SECOND-ORDER REDUCED DENSITY MATRICES AND THE N-REPRESENTABILITY PROBLEM

2013 ◽  
pp. 163-194 ◽  
Author(s):  
Maho Nakata ◽  
Mituhiro Fukuda ◽  
Katsuki Fujisawa
Keyword(s):  
Electronic Structure ◽  
Variational Approach ◽  
Electronic Structure Calculations ◽  
Second Order ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density ◽  
Structure Calculations

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

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
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