Electrostatic interpretation of the force −∂Vxc/∂r connected with the exchange-correlation potential: direct relation to single-particle kinetic energy density in Be-atom

2004 ◽  
Vol 324 (1) ◽  
pp. 42-45 ◽  
Author(s):  
N.H March ◽  
P Geerlings ◽  
K.D Sen
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Single Particle ◽  
Kinetic Energy Density ◽  
Direct Relation ◽  
Exchange Correlation ◽  
Exchange Correlation Potential ◽  
Correlation Potential ◽  
Electrostatic Interpretation ◽  
Particle Kinetic Energy

scholarly journals Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids

2018 ◽  
Vol 149 (14) ◽  
pp. 144105 ◽  
Author(s):  
Fabien Tran ◽  
Péter Kovács ◽  
Leila Kalantari ◽  
Georg K. H. Madsen ◽  
Peter Blaha
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Exchange Correlation ◽  
Orbital Free

Kinetic-energy-density dependent semilocal exchange-correlation functionals

2016 ◽  
Vol 116 (22) ◽  
pp. 1641-1694 ◽  
Author(s):  
Fabio Della Sala ◽  
Eduardo Fabiano ◽  
Lucian A. Constantin
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Density Dependent ◽  
Exchange Correlation
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