Electronic Structure Computations

G. Bencteux, E. Cances, W. W. Hager, and C. Le Bris, Analysis of a Quadratic Programming Decomposition Algorithm, SIAM Journal on Numerical Analysis, 47 (2010), pp. 4517-4539.

G. Bencteux, M. Barrault, E. Cances, W. W. Hager, and C. Le Bris, Domain Decomposition and Electronic Structure Computations: A Promising Approach, in "Partial Differential Equations: Modelling and Numerical Simulation," Roland Glowinski and Pekka Neittaanmaki, eds., Springer, 2008, pp. 147-164 (10.1007/978-1-4020-8758-5_8).

M. Barrault, E. Cances, W. W. Hager, and C. Le Bris, Multilevel domain decomposition for electronic structure calculations, Journal of Computational Physics, 222 (2007), pp. 86-109.