91 citations · 704 across the 29 of their papers we have counts for
30 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…
Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals
Giuseppe M. J. Barca, Pierre-François Loos, Peter M. W. Gill
Explicitly-correlated F12 methods are becoming the first choice for high-accuracy molecular orbital calculations, and can often achieve chemical accuracy with relatively small gaus…
The uniform electron gas
Pierre-François Loos, Peter M. W. Gill
The uniform electron gas or UEG (also known as jellium) is one of the most fundamental models in condensed-matter physics and the cornerstone of the most popular approximation ---…
Three-electron coalescence points in two and three dimensions
Pierre-François Loos, Nathaniel J. Bloomfield, Peter M. W. Gill
The form of the wave function at three-electron coalescence points is examined for several spin states using an alternative method to the usual Fock expansion. We find that, in two…
Uniform electron gases: III. Low-density gases on three-dimensional spheres
Davids Agboola, Anneke L. Knol, Peter M. W. Gill +1
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 e…
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…