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physics.chem-ph2015★ 12 cited
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…
physics.chem-ph2014★ 8 cited
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…