Algorithmic Publications:

B.G. Pfrommer, J. Demmel, and H. Simon, “ Unconstrained Energy Functionals for Electronic Structure Calculations”, J. Comp. Phys. 150, 287 (1999)

B. G. Pfrommer, M. Coté, S. G. Louie, and M. L. Cohen, ``Relaxation of crystals with the quasi-Newton method'', Journal of Computational Physics 131, 233-240 (1997).