91 citations · 704 across the 29 of their papers we have counts for
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Basis functions for electronic structure calculations on spheres
Peter M. W. Gill, Pierre-François Loos, Davids Agboola
We introduce a new basis function (the spherical gaussian) for electronic structure calculations on spheres of any dimension . We find \alert{general} expressions for the one- a…
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…