Robert J. Harrison

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.3K citations

Engineering, Diffuse Character, Molecular Biology +17

Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets

Wibe A. de Jong, Robert J. Harrison, David A. Dixon · The Journal of Chemical Physics · 2001 · 982 citations

Numerical Analysis, Engineering, Physics +13

High performance computational chemistry: An overview of NWChem a distributed parallel application

Ricky A. Kendall, Edoardo Aprà, David E. Bernholdt et al. · Computer Physics Communications · 2000 · 739 citations

Cluster Computing, Chemical Engineering, Massively-parallel Computing +11

The International Exascale Software Project roadmap

Jack Dongarra, Pete Beckman, Terry Moore et al. · The International Journal of High Performance Computing Applications · 2011 · 711 citations

Software Maintenance, Engineering, Unprecedented Parallelism +24

Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles

Sotiris S. Xantheas, Christian J. Burnham, Robert J. Harrison · The Journal of Chemical Physics · 2002 · 393 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +23