TY - JOUR
T1 - Potential functionals versus density functionals
AU - Cangi, Attila
AU - Gross, E. K.U.
AU - Burke, Kieron
PY - 2013/12/4
Y1 - 2013/12/4
N2 - Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defined and its properties are reported. The relationship between the Thomas-Fermi theory as a density functional and the theory as a potential functional is derived. The properties of several recent semiclassical potential functionals are explored, especially regarding their approach to the large particle number and classical continuum limits. The lack of ambiguity in the energy density of potential functional approximations is demonstrated. The density-density response function of the semiclassical approximation is calculated and shown to violate a key symmetry condition.
AB - Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defined and its properties are reported. The relationship between the Thomas-Fermi theory as a density functional and the theory as a potential functional is derived. The properties of several recent semiclassical potential functionals are explored, especially regarding their approach to the large particle number and classical continuum limits. The lack of ambiguity in the energy density of potential functional approximations is demonstrated. The density-density response function of the semiclassical approximation is calculated and shown to violate a key symmetry condition.
UR - http://www.scopus.com/inward/record.url?scp=84890419482&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.88.062505
DO - 10.1103/PhysRevA.88.062505
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AN - SCOPUS:84890419482
SN - 1050-2947
VL - 88
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 6
M1 - 062505
ER -