scholarly journals Rank restriction for the variational calculation of two-electron reduced density matrices of many-electron atoms and molecules

2011 ◽  
Vol 84 (5) ◽  
Author(s):  
Kasra Naftchi-Ardebili ◽  
Nathania W. Hau ◽  
David A. Mazziotti
Keyword(s):  
Variational Calculation ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Atoms And Molecules ◽  
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

Reduced Density Matrices

2000 ◽  
Author(s):  
A. John Coleman ◽  
Vyacheslav I. Yukalov
Keyword(s):  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density
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