The X-ray constrained wavefunction (XC-WF) method proposed by Jayatilaka [Jayatilaka & Grimwood (2001) ▸, Acta Cryst. A57, 76-86] has attracted much attention because it represents a possible third way of theoretically studying the electronic structure of atoms and molecules, combining features of the more popular wavefunction- and DFT-based approaches. In its original formulation, the XC-WF te...

The pairing properties of nuclear systems are a sensitive probe of the effective nucleon-nucleon interactions. We compare the 1 S 0 pairing gaps in nuclear and neutron matter derived from the phenomenological Gogny interaction and a renormal-ization group motivated low-momentum V low k interaction extracted from realistic interactions. We find that the pairing gaps predicted by these interactio...

Plots of electronic energy vs electron number, determined using approximate density functional theory (DFT) and Hartree-Fock theory, are typically piecewise convex and piecewise concave, respectively. The curves also commonly exhibit a minimum and maximum, respectively, in the neutral → anion segment, which lead to positive DFT anion HOMO energies and positive Hartree-Fock neutral LUMO energies...