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Robert J. Harrison
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Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
RA Kendall, TH Dunning Jr, RJ Harrison
The Journal of chemical physics 96 (9), 6796-6806, 1992
139651992
The international exascale software project roadmap
J Dongarra, P Beckman, T Moore, P Aerts, G Aloisio, JC Andre, D Barkai, ...
The international journal of high performance computing applications 25 (1 …, 2011
9042011
High performance computational chemistry: An overview of NWChem a distributed parallel application
RA Kendall, E Aprà, DE Bernholdt, EJ Bylaska, M Dupuis, GI Fann, ...
Computer Physics Communications 128 (1-2), 260-283, 2000
8472000
Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets
WA De Jong, RJ Harrison, DA Dixon
The Journal of Chemical Physics 114 (1), 48-53, 2001
8402001
NWChem, A computational chemistry package for parallel computers, version 5.1
EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ...
Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007
5522007
MPI: A Message-Passing Interface Standard; June 12, 1995;[version 1.1]
Message Passing Interface Forum
University of Tennessee, 1995
513*1995
Global arrays: A nonuniform memory access programming model for high-performance computers
J Nieplocha, RJ Harrison, RJ Littlefield
The Journal of Supercomputing 10 (2), 169-189, 1996
4681996
Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles
SS Xantheas, CJ Burnham, RJ Harrison
The Journal of chemical physics 116 (4), 1493-1499, 2002
4212002
Global Arrays: A portable" shared-memory" programming model for distributed memory computers
J Nieplocha, RJ Harrison, RJ Littlefield
Supercomputing'94: Proceedings of the 1994 ACM/IEEE conference on …, 1994
3331994
Global Arrays: A portable" shared-memory" programming model for distributed memory computers
J Nieplocha, RJ Harrison, RJ Littlefield
Supercomputing'94: Proceedings of the 1994 ACM/IEEE conference on …, 1994
3331994
Multiresolution quantum chemistry: Basic theory and initial applications
RJ Harrison, GI Fann, T Yanai, Z Gan, G Beylkin
The Journal of chemical physics 121 (23), 11587-11598, 2004
2882004
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 184102, 2020
2662020
Full ci calculations on bh, h2o, nh3, and hf
RJ Harrison, NC Handy
Chemical Physics Letters 95 (4-5), 386-391, 1983
2631983
NWCHEM, a computational chemistry package for parallel computers, Version 4.6
TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ...
Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004
2612004
Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers
DE Bernholdt, RJ Harrison
Chemical Physics Letters 250 (5-6), 477-484, 1996
2551996
Synthesis of high-performance parallel programs for a class of ab initio quantum chemistry models
G Baumgartner, A Auer, DE Bernholdt, A Bibireata, V Choppella, ...
Proceedings of the IEEE 93 (2), 276-292, 2005
2492005
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
2272020
Approximating full configuration interaction with selected configuration interaction and perturbation theory
RJ Harrison
The Journal of chemical physics 94 (7), 5021-5031, 1991
2041991
Automatic code generation for many-body electronic structure methods: the tensor contraction engine
AA Auer, G Baumgartner, DE Bernholdt, A Bibireata, V Choppella, ...
Molecular Physics 104 (2), 211-228, 2006
1562006
Isomers and excitation energies of C4
DH Magers, RJ Harrison, RJ Bartlett
The Journal of chemical physics 84 (6), 3284-3290, 1986
1501986
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