## Quantum Monte Carlo Compton profiles of solid and liquid lithium

Published in *arXiv*, 2019

We calculated the momentum distribution n(k) of BCC lithium using all-electron QMC in the grand-canonical ensemble. Kinetic sum rule from finite-size corrected n(k) agrees with thermodynamic limit to 0.1 mha/e. BFD solid - liquid difference agrees well with experiment, but the pseudopotential Compton profile is too narrow due to lack of orthogonalization with core states.

Recommended citation: Y. Yang, N. Hiraoka, K. Matsuda, M. Holzmann, D. M. Ceperley, "Quantum Monte Carlo Compton profiles of solid and liquid lithium, " *arXiv:* 1912.12295