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The Journal of Chemical Physics|September 8, 2011
An approximate density-functional method using the Harris-Foulkes functionalG D Bellchambers, F R ManbyThe Journal of Chemical Physics|November 5, 2005
Efficient exact exchange approximations in density-functional theoryA Hesselmann, F R ManbyPhysical Review Letters|November 3, 2001
Poisson equation in the Kohn-Sham Coulomb problemF R Manby, P J KnowlesThe Journal of Chemical Physics|September 17, 2015
Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculationsM J Gillan, D Alfè, F R ManbyPhysical Chemistry Chemical Physics : PCCP|January 5, 2007
Extension of molecular electronic structure methods to the solid state: computation of the cohesive energy of lithium hydrideF R Manby, D Alfè, M J GillanThe Journal of Chemical Physics|November 7, 2012
The embedded many-body expansion for energetics of molecular crystalsP J Bygrave, N L Allan, F R ManbyJournal of Computational Chemistry|June 7, 2008
High-precision calculation of Hartree-Fock energy of crystalsM J Gillan, D Alfè, S de Gironcoli, et al.The Journal of Chemical Physics|July 5, 2012
Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clustersM J Gillan, F R Manby, M D Towler, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 10, 2011
Comparison of the incremental and hierarchical methods for crystalline neonS J Nolan, P J Bygrave, N L Allan, et al.The Journal of Chemical Physics|September 28, 2013
Energy benchmarks for water clusters and ice structures from an embedded many-body expansionM J Gillan, D Alfè, P J Bygrave, et al.Pageof 1