Pair interactions of rare-gas atoms as a test of exchange-energy-density functionals in regions of large density gradients

1993 ◽  
Vol 47 (6) ◽  
pp. 4681-4690 ◽  
Author(s):  
Daniel J. Lacks ◽  
Roy G. Gordon
Keyword(s):  
Energy Density ◽  
Exchange Energy ◽  
Rare Gas ◽  
Density Gradients ◽  
Density Functionals ◽  
Large Density ◽  
Rare Gas Atoms ◽  
Pair Interactions

scholarly journals Coulomb-attenuated exchange energy density functionals

1996 ◽  
Vol 88 (4) ◽  
pp. 1005-1009 ◽  
Author(s):  
PETER M. W. GILL ◽  
ROSS D. ADAMSON ◽  
JOHN A. POPLE
Keyword(s):  
Energy Density ◽  
Exchange Energy ◽  
Density Functionals

Asymmetric rare gas pair potentials from energy density functionals

1986 ◽  
Vol 85 (11) ◽  
pp. 6637-6644 ◽  
Author(s):  
María C. Donnamaría ◽  
Mario D. Glossman ◽  
Julio A. Alonso
Keyword(s):  
Energy Density ◽  
Rare Gas ◽  
Density Functionals ◽  
Pair Potentials

Density functionals for nondynamical correlation constructed from an upper bound to the exact exchange energy density

2018 ◽  
Vol 117 (9-12) ◽  
pp. 1226-1241 ◽  
Author(s):  
Benjamin G. Janesko ◽  
Giovanni Scalmani ◽  
Michael J. Frisch
Keyword(s):  
Energy Density ◽  
Upper Bound ◽  
Exchange Energy ◽  
Density Functionals ◽  
Exact Exchange
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