TY - JOUR
T1 - Uniform electron gases
AU - Gill, Peter M.W.
AU - Loos, Pierre François
PY - 2012/1
Y1 - 2012/1
N2 - We show that the traditional concept of the uniform electron gas (UEG)-a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume-is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, viz. the usual one-electron density parameter ρ and a new two-electron parameter η. We outline a systematic strategy to determine a new density functional E (ρ, η) across the spectrum of possible ρ and η values.
AB - We show that the traditional concept of the uniform electron gas (UEG)-a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume-is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, viz. the usual one-electron density parameter ρ and a new two-electron parameter η. We outline a systematic strategy to determine a new density functional E (ρ, η) across the spectrum of possible ρ and η values.
KW - Density functional theory
KW - Homogeneous electron gas
KW - Jellium
KW - Uniform electron gas
UR - http://www.scopus.com/inward/record.url?scp=83255161928&partnerID=8YFLogxK
U2 - 10.1007/s00214-011-1069-7
DO - 10.1007/s00214-011-1069-7
M3 - Article
SN - 1432-881X
VL - 131
SP - 1
EP - 9
JO - Theoretical Chemistry Accounts
JF - Theoretical Chemistry Accounts
IS - 1
M1 - 1069
ER -