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Haynes, Peter - Cavendish Laboratory, University of Cambridge
Preconditioned conjugate gradient method for the sparse generalized eigenvalue problem in electronic structure
Corrected penaltyfunctional method for linearscaling calculations within densityfunctional theory
Linearscaling methods in ab initio quantummechanical calculations
Parallel fast Fourier transforms for electronic structure calculations
INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER J. Phys.: Condens. Matter 17 (2005) 57575769 doi:10.1088/0953-8984/17/37/012
Localised sphericalwave basis set for O(N) totalenergy pseudopotential calculations
ONETEP: linear-scaling density-functional theory with plane-waves
Failure of densitymatrix minimization methods for linearscaling densityfunctional theory using the Kohn
