Abstract
The strong-interaction limit of density functional theory
Michael Seidl
Universität Regensburg
The ground-state wave function of a strongly interacting electron system is
strongly correlated, a situation far away from a wave function with single-
particle orbitals (Slater determinant) which describes non-interacting
electrons. In density functional theory, this strong-interaction limit is
reached in a continuous series of ground-state wave functions
$\Psi_\alpha[\rho]$ that are all associated with the same given particle
density $\rho({\bf r})$, but where the Coulomb repulsion between the electrons
is multiplied by a constant parameter $\alpha\ge0$. In the very limit
$\alpha\to\infty$, this wave function describes a state of stricly correlated
electrons (SCE). This SCE wave function may be viewed as the logical complement
to the familiar concept of a Slater determinant.
The SCE concept is illustrated here for one-dimensional (1D) $N$ electron
systems as well as for 3D ones with spherical symmetry. The general relevance
of this concept for electronic structure calculations of strongly
correlated systems will be the subject of the subsequent talk.
As a simple application, the SCE concept is used here to challenge the
Lieb-Oxford bound.
strongly correlated, a situation far away from a wave function with single-
particle orbitals (Slater determinant) which describes non-interacting
electrons. In density functional theory, this strong-interaction limit is
reached in a continuous series of ground-state wave functions
$\Psi_\alpha[\rho]$ that are all associated with the same given particle
density $\rho({\bf r})$, but where the Coulomb repulsion between the electrons
is multiplied by a constant parameter $\alpha\ge0$. In the very limit
$\alpha\to\infty$, this wave function describes a state of stricly correlated
electrons (SCE). This SCE wave function may be viewed as the logical complement
to the familiar concept of a Slater determinant.
The SCE concept is illustrated here for one-dimensional (1D) $N$ electron
systems as well as for 3D ones with spherical symmetry. The general relevance
of this concept for electronic structure calculations of strongly
correlated systems will be the subject of the subsequent talk.
As a simple application, the SCE concept is used here to challenge the
Lieb-Oxford bound.