25 citations · 67 across the 4 of their papers we have counts for
4 papers
Molecular electronic structure in one-dimensional Coulomb systems
Caleb J. Ball, Pierre-François Loos, P. M. W. Gill
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dim…
Symmetry-broken local-density approximation for one-dimensional systems
Fergus J. M. Rogers, Caleb J. Ball, Pierre-François Loos
Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock…
Chemistry in One Dimension
Pierre-François Loos, Caleb J. Ball, Peter M. W. Gill
We report benchmark results for one-dimensional (1D) atomic and molecular systems interacting via the Coulomb operator . Using various wavefunction-type approaches, such…
Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension
Pierre-François Loos, Caleb J. Ball, Peter M. W. Gill
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ a…