Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures

2000 ◽  
Vol 104 (6) ◽  
pp. 439-444 ◽  
Author(s):  
Angela D. Rabuck ◽  
Gustavo E. Scuseria
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Density Functionals ◽  
Hydrogen Binding ◽  
Hydrogen Bonded

scholarly journals libKEDF: An accelerated library of kinetic energy density functionals

2017 ◽  
Vol 38 (17) ◽  
pp. 1552-1559 ◽  
Author(s):  
Johannes M. Dieterich ◽  
William C. Witt ◽  
Emily A. Carter
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Density Functionals

Orbital-free kinetic-energy density functionals with a density-dependent kernel

1999 ◽  
Vol 60 (24) ◽  
pp. 16350-16358 ◽  
Author(s):  
Yan Alexander Wang ◽  
Niranjan Govind ◽  
Emily A. Carter
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Density Functionals ◽  
Density Dependent ◽  
Orbital Free
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