Local-density approximation: Difference between revisions

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DieHenkels (talk | contribs)
m Correlation functional: Si units restored in formula for Wigner-Seitz r_s
DieHenkels (talk | contribs)
m Spin polarization: greek letter zeta (not sigma) in in-line expression
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<math>\zeta = 0\,</math> corresponds to the diamagnetic spin-unpolarized situation with equal
<math>\alpha\,</math> and <math>\beta\,</math> spin densities whereas <math>\zeta = \pm 1</math> corresponds to the ferromagnetic situation where one spin density vanishes. The spin correlation energy density for a given values of the total density and relative polarization, ''є''<sub>c</sub>(''ρ'',''ςζ''), is constructed so to interpolate the extreme values. Several forms have been developed in conjunction with LDA correlation functionals.<ref>{{cite journal|last=von Barth|first=U.|author2=Hedin, L. |year=1972|title=A local exchange-correlation potential for the spin polarized case|journal=J. Phys. C: Solid State Phys.|volume=5|pages=1629–1642|doi=10.1088/0022-3719/5/13/012|bibcode = 1972JPhC....5.1629V|issue=13 |s2cid=120985795 }}</ref>
 
== Exchange-correlation potential ==