Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientist
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
Scientist
University of Cambridge
Accurate ionic forces and geometry optimisation in linear scaling density-functional theory with local orbitals
Accurate kinetic energy evaluation in electronic structure calculations with localised functions on real space grids
Calculating optical absorption spectra for large systems using linear-scaling density-functional theory
Comparison of variational real-space representations of the kinetic energy operator
Density-functional investigation of the rhombohedral to simple cubic phase transition of arsenic
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