Non-analytic Spin-Density Functionals

2014 ◽  
pp. 145-174
Author(s):  
Martín A. Mosquera ◽  
Adam Wasserman
Keyword(s):  
Spin Density ◽  
Density Functionals

DENSITY FUNCTIONALS AND SMALL INTERPARTICLE SEPARATIONS IN ELECTRONIC SYSTEMS

1995 ◽  
Vol 09 (14) ◽  
pp. 829-838 ◽  
Author(s):  
KIERON BURKE ◽  
JOHN P. PERDEW
Keyword(s):  
Spin Density ◽  
Density Functional ◽  
Electronic System ◽  
Electronic Systems ◽  
Hole Density ◽  
Density Functionals ◽  
Sum Rule ◽  
Exchange Correlation ◽  
Strongly Interacting ◽  
Correlation Hole

We review some recent results concerning the probability that two electrons will be found close together in any interacting electronic system, and why this probability is usually well approximated by local (LSD) and semilocal spin density functional theories. The success of these approximations for the energy in "normal" systems is explained by the usual sum rule arguments on the system- and spherically-averaged exchange-correlation hole density <n xc (u)>, coupled with the nearly correct, but not exact, behavior of these approximations as the interelectronic separation u → 0. We argue that the accuracy of the LSD on-top hole density in "normal" systems is due to its accuracy in the noninteracting, weakly-interacting, and strongly-interacting limits.

Density functionals and chemical bond, diatomic molecules

1989 ◽  
Vol 86 ◽  
pp. 853-859 ◽  
Author(s):  
Federico Moscardó ◽  
José Pérez-Jordá ◽  
Emilio San-Fabián
Keyword(s):  
Chemical Bond ◽  
Diatomic Molecules ◽  
Density Functionals
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