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 -