Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients

2017 ◽  
Vol 13 (9) ◽  
pp. 4228-4239 ◽  
Author(s):  
Lucian A. Constantin ◽  
Eduardo Fabiano ◽  
Fabio Della Sala
Keyword(s):  
Kinetic Energy ◽  
Fourth Order ◽  
Order Kinetic ◽  
Gradient Expansion ◽  
Energy Gradient ◽  
Hartree Potential

scholarly journals Kinetic energy densities based on the fourth order gradient expansion: performance in different classes of materials and improvementviamachine learning

2019 ◽  
Vol 21 (1) ◽  
pp. 378-395 ◽  
Author(s):  
Pavlo Golub ◽  
Sergei Manzhos
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Fourth Order ◽  
Kinetic Energy Density ◽  
Gradient Expansion ◽  
Density Dependent ◽  
Energy Functionals ◽  
Dependent Variables

We study the performance of fourth-order gradient expansions of the kinetic energy density (KED) in semi-local kinetic energy functionals depending on the density-dependent variables.

Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities

1986 ◽  
Vol 34 (2) ◽  
pp. 686-691 ◽  
Author(s):  
John P. Perdew ◽  
Viraht Sahni ◽  
Manoj K. Harbola ◽  
Rajeev K. Pathak
Keyword(s):  
Kinetic Energy ◽  
Fourth Order ◽  
Gradient Expansion

Erratum: Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities

1988 ◽  
Vol 37 (8) ◽  
pp. 4267-4267 ◽  
Author(s):  
John P. Perdew ◽  
Viraht Sahni ◽  
Manoj K. Harbola ◽  
Rajeev K. Pathak
Keyword(s):  
Kinetic Energy ◽  
Fourth Order ◽  
Gradient Expansion

Gradient expansion of the atomic kinetic energy functional

1976 ◽  
Vol 43 (3) ◽  
pp. 409-412 ◽  
Author(s):  
Wen-Ping Wang ◽  
Robert G. Parr ◽  
Danny R. Murphy ◽  
George A. Henderson
Keyword(s):  
Kinetic Energy ◽  
Energy Functional ◽  
Gradient Expansion ◽  
Kinetic Energy Functional

Spin-density gradient expansion for the kinetic energy

1979 ◽  
Vol 20 (2) ◽  
pp. 397-403 ◽  
Author(s):  
G. L. Oliver ◽  
J. P. Perdew
Keyword(s):  
Kinetic Energy ◽  
Density Gradient ◽  
Spin Density ◽  
Gradient Expansion
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