The importance of being inconsistent A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke Annual review of physical chemistry 68, 555-581, 2017 | 123 | 2017 |
Density-based partitioning methods for ground-state molecular calculations J Nafziger, A Wasserman The Journal of Physical Chemistry A 118 (36), 7623-7639, 2014 | 72 | 2014 |
Molecular binding energies from partition density functional theory J Nafziger, Q Wu, A Wasserman The Journal of chemical physics 135 (23), 2011 | 67 | 2011 |
Fragment-based treatment of delocalization and static correlation errors in density-functional theory J Nafziger, A Wasserman The Journal of chemical physics 143 (23), 2015 | 37 | 2015 |
Partition-DFT on the water dimer S Gómez, J Nafziger, A Restrepo, A Wasserman The Journal of Chemical Physics 146 (7), 2017 | 28 | 2017 |
Accurate reference data for the nonadditive, noninteracting kinetic energy in covalent bonds J Nafziger, K Jiang, A Wasserman Journal of chemical theory and computation 13 (2), 577-586, 2017 | 25 | 2017 |
Fragment occupations in partition density functional theory R Tang, J Nafziger, A Wasserman Physical Chemistry Chemical Physics 14 (21), 7780-7786, 2012 | 24 | 2012 |
Harpervalleybank: A domain-specific spoken dialog corpus M Wu, J Nafziger, A Scodary, A Maas arXiv preprint arXiv:2010.13929, 2020 | 16 | 2020 |
Constructing a non-additive non-interacting kinetic energy functional approximation for covalent bonds from exact conditions K Jiang, J Nafziger, A Wasserman The Journal of chemical physics 149 (16), 2018 | 15 | 2018 |
Non-additive non-interacting kinetic energy of rare gas dimers K Jiang, J Nafziger, A Wasserman The Journal of Chemical Physics 148 (10), 2018 | 15 | 2018 |
Partition density functional theory J Nafziger Purdue University, 2015 | 7 | 2015 |
Density embedding with constrained chemical potential K Niffenegger, Y Oueis, J Nafziger, A Wasserman Molecular Physics 117 (15-16), 2188-2194, 2019 | 4 | 2019 |
Delocalization and static correlation in partition density-functional theory J Nafziger, A Wasserman arXiv preprint arXiv:1305.4966 174, 2012 | 2 | 2012 |
pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations VH Chávez, J Nafziger, A Wasserman Journal of Open Source Software 7 (77), 4459, 2022 | | 2022 |
Chemical Potential of Integer Electron Systems K NIffenegger, Y Oueis, J Nafziger, A Wasserman arXiv preprint arXiv:1903.02170, 2019 | | 2019 |
Stringent test for non-additive, non-interacting, kinetic energy functionals K Jiang, J Nafziger, A Wasserman APS March Meeting Abstracts 2016, E31. 007, 2016 | | 2016 |
Ensemble treatment of fragments within a molecule leads to improved description of dissociation J Nafziger, A Wasserman APS March Meeting Abstracts 2014, J1. 007, 2014 | | 2014 |
Avoiding self-interaction and static-correlation errors with Partition Density Functional Theory J Nafziger, A Wasserman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
Finding Partition Potentials J Nafziger, M Cohen, A Wasserman APS March Meeting Abstracts 2012, P35. 006, 2012 | | 2012 |