# Generalized local-density approximation and one-dimensional finite uniform electron gases

@article{Loos2014GeneralizedLA, title={Generalized local-density approximation and one-dimensional finite uniform electron gases}, author={Pierre-François Loos}, journal={Physical Review A}, year={2014}, volume={89}, pages={052523} }

We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional (1D) uniform electron gases (UEGs). The fundamental parameters of the GLDA \textemdash a generalization of the widely-known local-density approximation (LDA) used in density-functional theory (DFT) \textemdash are the electronic density $\rho$ and a newly-defined two-electron local parameter called the hole curvature $\eta$. The UEGs considered in this study are finite versions…

## 14 Citations

### Uniform electron gases. III. Low-density gases on three-dimensional spheres.

- PhysicsThe Journal of chemical physics
- 2015

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a…

### A weight-dependent local correlation density-functional approximation for ensembles.

- Computer ScienceThe Journal of chemical physics
- 2020

A local, weight-dependent correlation density-functional approximation that incorporates information about both ground and excited states in the context of density functional theory for ensembles (eDFT) and automatically incorporates the infamous derivative discontinuity contributions to the excitation energies through its explicit ensemble weight dependence.

### Chemistry in one dimension.

- Physics, ChemistryPhysical chemistry chemical physics : PCCP
- 2015

The 1D analog of Mendeleev's periodic table is constructed and it is found that the 1D periodic table contains only two groups: the alkali metals and the noble gases.

### Accurate ground-state energies of Wigner crystals from a simple real-space approach

- Physics
- 2021

We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in 1, 2, and 3 dimensions. To be precise, we calculate the first two terms in…

### Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems.

- ChemistryFaraday discussions
- 2020

The construction of first-rung weight-dependent exchange-correlation density-functional approximations for two-electron atomic and molecular systems (He and H2) specifically designed for the computation of double excitations within GOK-DFT are discussed.

### Quasi-exact solvability and entropies of the one-dimensional regularised Calogero model

- Physics
- 2017

The Calogero model can be regularised through the introduction of a cutoff parameter which removes the divergence in the interaction term. In this work we show that the one-dimensional two-particle…

### Excited-state Wigner crystals.

- PhysicsThe Journal of chemical physics
- 2017

This work presents a well-defined procedure to obtain an entire family of ESWCs in a one-dimensional electron gas using a symmetry-broken mean-field approach and finds asymmetrical band gaps, which would lead to anisotropic conductivity in some of these excited-state WCs.

### Nodal surfaces and interdimensional degeneracies.

- PhysicsThe Journal of chemical physics
- 2015

It is shown here that this peculiar feature of atomic and molecular systems for which the exact nodes are known analytically is very limited and it can be attributed to interdimensional degeneracies.

### Natural occupation numbers in two-electron quantum rings.

- PhysicsThe Journal of chemical physics
- 2016

The closed-form expression of the NOs of two-electron quantum rings are reported, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory.

### Molecular electronic structure in one-dimensional Coulomb systems.

- ChemistryPhysical chemistry chemical physics : PCCP
- 2017

The exclusion potential is defined, a 1D analogue of the electrostatic potential, and it is shown that it can be used to rationalise the nature of bonding within molecules and construct a small set of simple rules which can predict whether a putative 1D molecule should be stable.

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