| A DFT Study of Palladium Clusters and their Reactions with H2 and O2: Application to catalyzed H2O2 synthesis A Pelzer, K Jackson, J Jellinek APS March Meeting Abstracts 2012, K1. 232, 2012 | | 2012 |
| A local density approximation study of dangling bonds on the diamond(111) surface K JACKSON New diamond science and technology, 51-56, 1991 | | 1991 |
| A new method for initializing Fermi orbital descriptors for FLO-SIC calculations D Nguyen, K Jackson, J Perdew, M Pederson, J Peralta APS March Meeting Abstracts 2021, R19. 010, 2021 | | 2021 |
| A Novel Pathway from DFT to CI JG Bravo Flores, A Johnson, M Pederson, K Withanage, K Jackson APS March Meeting Abstracts 2022, Z48. 002, 2022 | | 2022 |
| A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction RR Zope, Y Yamamoto, CM Diaz, T Baruah, JE Peralta, KA Jackson, ... The Journal of Chemical Physics 151 (21), 2019 | 78 | 2019 |
| A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation P Bhattarai, K Wagle, C Shahi, Y Yamamoto, S Romero, B Santra, ... The Journal of Chemical Physics 152 (21), 2020 | 35 | 2020 |
| A study of substitutional nitrogen impurities in chemical vapor deposited diamond PK Sitch, G Jungnickel, M Kaukonen, D Porezag, T Frauenheim, ... Journal of applied physics 83 (9), 4642-4646, 1998 | 25 | 1998 |
| A tight-binding/density functional search for the structures of Ge clusters N Ghosh, K Jackson, Z Hajnal, T Frauenheim APS March Meeting Abstracts, D40. 006, 2001 | | 2001 |
| ABSORBED HYDROGEN AND FLUORINE NEAR THE DIAMOND VAPOR INTERFACE MR PEDERSON, KA JACKSON ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 202, 359-PHYS, 1991 | | 1991 |
| Accelerating the Fermi-Löwdin Orbital Descriptor Optimizations for Self-Interaction Free Density Functional Theory Calculations. MNB Zaman, K Jackson, J Peralta APS March Meeting Abstracts 2021, R19. 009, 2021 | | 2021 |
| Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron (III) complexes RP Joshi, JJ Phillips, KJ Mitchell, G Christou, KA Jackson, JE Peralta Polyhedron 176, 114194, 2020 | 22 | 2020 |
| Accurate forces in a local-orbital approach to the local-density approximation K Jackson, MR Pederson Physical Review B 42 (6), 3276, 1990 | 473 | 1990 |
| Accurate intramolecular forces within Gaussian orbital local-density framework: progress towards real dynamics MR Pederson, KA Jackson Density Functional Methods in Chemistry, 231-245, 1991 | | 1991 |
| Adsorption of Hydrocarbon Radicals on the Hydrogenated Diamond Surface MR Pederson, KA Jackson, WE Pickett MRS Online Proceedings Library (OPL) 162, 91, 1989 | 1 | 1989 |
| All-Electron, Pseudo-and Mixed Potentials for Large Polyatomic Systems A Briley, K Jackson, D Patton, D Porezag, M Pederson APS March Meeting Abstracts, A25. 07, 1998 | | 1998 |
| Analysis of the response of atomic clusters to static electric fields in terms of position-dependent polarizabilities KA Jackson, M Yang, J Jellinek APS March Meeting Abstracts, V11. 010, 2006 | | 2006 |
| Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction K Trepte, S Schwalbe, T Hahn, J Kortus, DY Kao, Y Yamamoto, T Baruah, ... Journal of Computational Chemistry 40 (6), 820-825, 2019 | 28 | 2019 |
| Analyzing Perdew-Zunger self-interaction correction for reaction barrier heights beyond the LDSA: Unraveling the Evolution of Stretched Bond Errors Y Singh, J Peralta, K Jackson Bulletin of the American Physical Society, 2024 | | 2024 |
| Application of Plasticity to Problems in Naval Ship Structures J VASTA, AH KEIL, JJ GILMAN, RS DAVIS, KA JACKSON, C ELBAUM, ... Plasticity: Proceedings of the Second Symposium on Naval Structural Mechanics, 1, 2013 | 3 | 2013 |
| Application of self-interaction corrected density functional theory to early, middle, and late transition states L Li, K Trepte, KA Jackson, JK Johnson The Journal of Physical Chemistry A 124 (40), 8223-8234, 2020 | 15 | 2020 |