Coordinate scaling of the kinetic energy in pair density functional theory: A Legendre transform approach

2009 ◽  
Vol 109 (8) ◽  
pp. 1699-1705 ◽  
Author(s):  
Rogelio Cuevas-Saavedra ◽  
Paul W. Ayers
Keyword(s):  
Density Functional Theory ◽  
Kinetic Energy ◽  
Density Functional ◽  
Legendre Transform ◽  
Functional Theory ◽  
Pair Density ◽  
Coordinate Scaling

Localized Active Space Pair-Density Functional Theory

2021 ◽  
Author(s):  
Riddhish Pandharkar ◽  
Matthew R. Hermes ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar ◽  
Laura Gagliardi
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Active Space ◽  
Pair Density
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