Local-density approximation: Difference between revisions

Revision as of 10:29, 2 May 2008

Revision as of 18:56, 19 May 2008

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* Perdew-Wang (PW92) <ref name=pw92>{{cite journal | title = Accurate and simple analytic representation of the electron-gas correlation energy | author = John P. Perdew and Yue Wang | journal = Phys. Rev. B | volume = 45 | pages = 13244 - 13249 | year = 1992 | url = http://link.aps.org/abstract/PRB/v45/p13244 | doi = 10.1103/PhysRevB.45.13244 }}</ref>

Wigner correlation is gottenobtained by using equally spaced electrons and applying perturbation theory.<ref name=wigner />

VWN, PZ and PW92 are fitfitted to a [[quantum Monte Carlo]] calculation<ref>{{cite journal | title = Ground State of the Electron Gas by a Stochastic Method | author = D. M. Ceperley and B. J. Alder | journal = Phys. Rev. Lett. | volume = 45 | pages = 566 - 569 | year = 1980 | url = http://link.aps.org/abstract/PRL/v45/p566 | doi = 10.1103/PhysRevLett.45.566}}</ref> of the electron gas at varying densities.<ref name=pw92 />

LYP is based on data fitfitted to the helium atom.<ref name=lyp />

== References ==