We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically expand the universal energy functional of the density in powers of a "coupling constant" that controls the magnitude of the kinetic energy. The problem of minimizing the energy is reduced to the solution of a strictly correlated electron problem in the presence of an effective potential, which in our theory plays the same role as the Kohn-Sham potential plays in the traditional formulation. We discuss several schemes for approximating the energy functional, and report preliminary results for low-density qua...
One of the fundamental problems in condensed-matter physics and quan-tum chemistry is the theoretica...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
Although Kohn-Sham (KS) density functional theory (DFT) is an exact theory, able in principle to des...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
We discuss energy densities in the strong-interaction limit of density functional theory, deriving a...
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depen...
Abstract: In potential-functional theory the total electronic energy is expressed as a functional of...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
One of the fundamental problems in condensed-matter physics and quan-tum chemistry is the theoretica...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
In the last three years, the mathematical structure of the strong-interaction limit of density funct...
Although Kohn-Sham (KS) density functional theory (DFT) is an exact theory, able in principle to des...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
Improving the accuracy and thus broadening the applicability of electronic density functional theory...
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in t...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
We discuss energy densities in the strong-interaction limit of density functional theory, deriving a...
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depen...
Abstract: In potential-functional theory the total electronic energy is expressed as a functional of...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
One of the fundamental problems in condensed-matter physics and quan-tum chemistry is the theoretica...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...