A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless non-interacting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states
The energy of a physical domain within a molecular system considered as a quantum open system is ana...
We develop a systematic approach to construct energy functionals of the one-particle reduced density...
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy ...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
In quantal density functional theory (Q‐DFT), any nondegenerate or degenerate ground or excited stat...
The Hohenberg-Kohn theorem of the density functional theory (DFT) is extended by modifying the Levy ...
The Hohenberg-Kohn theorem of the density functional theory (DFT) is extended by modifying the Levy ...
Our recent extended constrained-search theory [M. Higuchi and K. Higuchi, Phys. Rev. B 69, 035113 (2...
AbstractWe show how every bound state of a finite system of identical fermions, whether a ground sta...
Density Functional Theory (DFT) has firmly established itself as the workhorse for the atomic-level ...
The Ground-State Energy of a system of two neutral molecules was developed using the formalism of De...
In this work, we have implemented an orbital-free density functional theory (OF-DFT) solver using th...
In [Phys. Rev. Lett. 127, 023001 (2021)] a reduced density matrix functional theory (RDMFT) has been...
International audienceWe show how every bound state of a finite system of identical fermions, whethe...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
The energy of a physical domain within a molecular system considered as a quantum open system is ana...
We develop a systematic approach to construct energy functionals of the one-particle reduced density...
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy ...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
In quantal density functional theory (Q‐DFT), any nondegenerate or degenerate ground or excited stat...
The Hohenberg-Kohn theorem of the density functional theory (DFT) is extended by modifying the Levy ...
The Hohenberg-Kohn theorem of the density functional theory (DFT) is extended by modifying the Levy ...
Our recent extended constrained-search theory [M. Higuchi and K. Higuchi, Phys. Rev. B 69, 035113 (2...
AbstractWe show how every bound state of a finite system of identical fermions, whether a ground sta...
Density Functional Theory (DFT) has firmly established itself as the workhorse for the atomic-level ...
The Ground-State Energy of a system of two neutral molecules was developed using the formalism of De...
In this work, we have implemented an orbital-free density functional theory (OF-DFT) solver using th...
In [Phys. Rev. Lett. 127, 023001 (2021)] a reduced density matrix functional theory (RDMFT) has been...
International audienceWe show how every bound state of a finite system of identical fermions, whethe...
International audienceOne of the aims of density functional theory is to obtain properties of (groun...
The energy of a physical domain within a molecular system considered as a quantum open system is ana...
We develop a systematic approach to construct energy functionals of the one-particle reduced density...
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy ...