Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gas

1978 ◽  
Vol 17 (10) ◽  
pp. 3735-3743 ◽  
Author(s):  
J. A. Alonso ◽  
L. A. Girifalco
Keyword(s):  
Kinetic Energy ◽  
Electron Gas ◽  
Exchange Potential

Local Density Approximations for the Energy of a Periodic Coulomb Model

2003 ◽  
Vol 13 (08) ◽  
pp. 1185-1217 ◽  
Author(s):  
Olivier Bokanowski ◽  
Benoît Grebert ◽  
Norbert J. Mauser
Keyword(s):  
Kinetic Energy ◽  
Local Density ◽  
Exchange Energy ◽  
Asymptotic Approximations ◽  
Exchange Potential ◽  
Energy Term ◽  
Local Exchange ◽  
Coulomb Model ◽  
Local Density Approximations ◽  
Number Of Particles

We deal with local density approximations for the kinetic and exchange energy term, ℰ kin (ρ) and ℰ ex (ρ), of a periodic Coulomb model. We study asymptotic approximations of the energy when the number of particles goes to infinity and for densities close to the constant averaged density. For the kinetic energy, we recover the usual combination of the von-Weizsäcker term and the Thomas–Fermi term. Furthermore, we justify the inclusion of the Dirac term for the exchange energy and the Slater term for the local exchange potential.

Kinetic energy of an electron gas

1985 ◽  
Vol 32 (4) ◽  
pp. 2670-2670 ◽  
Author(s):  
Ronald Bass
Keyword(s):  
Kinetic Energy ◽  
Electron Gas

Orbital-free kinetic-energy functionals for the nearly free electron gas

1998 ◽  
Vol 58 (20) ◽  
pp. 13465-13471 ◽  
Author(s):  
Yan Alexander Wang ◽  
Niranjan Govind ◽  
Emily A. Carter
Keyword(s):  
Kinetic Energy ◽  
Free Electron ◽  
Electron Gas ◽  
Energy Functionals ◽  
Orbital Free

scholarly journals Spin-resolved correlation kinetic energy of the spin-polarized electron gas

2004 ◽  
Vol 70 (20) ◽  
Author(s):  
John F. Dobson ◽  
Hung M. Le ◽  
Giovanni Vignale
Keyword(s):  
Kinetic Energy ◽  
Electron Gas ◽  
Spin Polarized

Spin-Up-Spin-Down Pair Distribution Function at Metallic Densities

1972 ◽  
Vol 50 (15) ◽  
pp. 1756-1763 ◽  
Author(s):  
B. B. J. Hede ◽  
J. P. Carbotte
Keyword(s):  
Distribution Function ◽  
Kinetic Energy ◽  
Potential Energy ◽  
Born Approximation ◽  
Pair Distribution Function ◽  
Short Range ◽  
Electron Gas ◽  
Scattering Effects ◽  
Wide Range ◽  
Short Range Correlations

Correlations in an electron gas are particularly important at metallic densities because the potential energy cannot be ignored in comparison with the kinetic energy; in particular, interactions are not weak as r → 0, so that a simple Born approximation does not hold in this limit. Short-range correlations between oppositely-spinned electrons can be accounted for by an infinite series of particle–particle ladder diagrams. It leads to a Bethe–Goldstone type of equation which can be solved by an angle-averaged approximation. The resultant spin-up-down p.d.f. is positive over a wide range of metallic densities. A further correction by including particle–hole scattering effects changes the previous results only slightly.

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