Mike C. Payne

Solution of Schrödinger's equation for large systems.

Allan, Payne, M. Teter, 1989, Physical review. B, Condensed matter.

Ensemble density-functional theory for ab initio molecular dynamics of metals and finite-temperature insulators

D. Vanderbilt, M. Payne, N. Marzari, 1997, cond-mat/9703081.