Elementary properties of an energy functional of the first‐order reduced density matrix

1978 ◽  
Vol 69 (10) ◽  
pp. 4431-4439 ◽  
Author(s):  
Robert A. Donnelly ◽  
Robert G. Parr
Keyword(s):  
Density Matrix ◽  
Energy Functional ◽  
Reduced Density Matrix ◽  
First Order ◽  
Reduced Density

scholarly journals Decomposition of the First-Order Reduced Density Matrix:  An Isopycnic Localization Treatment

2006 ◽  
Vol 110 (29) ◽  
pp. 9254-9260 ◽  
Author(s):  
Diego R. Alcoba ◽  
Roberto C. Bochicchio ◽  
Alicia Torre ◽  
Luis Lain
Keyword(s):  
Density Matrix ◽  
Reduced Density Matrix ◽  
First Order ◽  
Reduced Density

scholarly journals A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules

2005 ◽  
Vol 123 (14) ◽  
pp. 144113 ◽  
Author(s):  
Diego R. Alcoba ◽  
Luis Lain ◽  
Alicia Torre ◽  
Roberto C. Bochicchio
Keyword(s):  
Density Matrix ◽  
Atoms In Molecules ◽  
Reduced Density Matrix ◽  
First Order ◽  
Reduced Density
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