29 citations · 37 across the 4 of their papers we have counts for
3 papers · 1 filter
A cluster partitioning method: determination of density matrices of solids and comparison with X-ray experiments
Sebastien Ragot, Jean-Michel Gillet, Pierre J Becker
In this paper we show that 1-electron properties such as Compton profiles and structure factors of crystals can be asymptotically retrieved through cluster-based calculations, foll…
Angular versus radial correlation effects on momentum distributions of light two-electron ions
Sebastien Ragot, Jean-Michel Gillet, Pierre J. Becker
We investigate different correlation mechanisms for two-electron systems and compare their respective effects on various electron distributions. The simplicity of the wave function…
Interpreting Compton anisotropy of ice Ih: a cluster partitioning method
Sebastien Ragot, Jean-Michel Gillet, Pierre J. Becker
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95…