Tim Heaton-Burgess, Ph.D.
Affiliations: | 2009 | Chemistry | Duke University, Durham, NC |
Area:
quantum mechanical simulations of biological systems and nanostructuresGoogle:
"Tim Heaton-Burgess"Mean distance: 9.45 | S | N | B | C | P |
Parents
Sign in to add mentor| Weitao Yang | grad student | 2009 | Duke | |
| (Theoretical and computational aspects of the optimized effective potential approach within density functional theory.) | ||||
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Publications
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| Heaton-Burgess T, Yang W. (2010) Structural manifestation of the delocalization error of density functional approximations: C(4N+2) rings and C(20) bowl, cage, and ring isomers. The Journal of Chemical Physics. 132: 234113 |
| Heaton-Burgess T, Yang W. (2008) Optimized effective potentials from arbitrary basis sets. The Journal of Chemical Physics. 129: 194102 |
| Heaton-Burgess T, Cohen AJ, Yang W, et al. (2008) Size extensivity of the direct optimized effective potential method. The Journal of Chemical Physics. 128: 114702 |
| Bulat FA, Heaton-Burgess T, Cohen AJ, et al. (2007) Optimized effective potentials from electron densities in finite basis sets. The Journal of Chemical Physics. 127: 174101 |
| Heaton-Burgess T, Bulat FA, Yang W. (2007) Optimized effective potentials in finite basis sets. Physical Review Letters. 98: 256401 |
| Heaton-Burgess T, Ayers P, Yang W. (2007) Spin-potential functional formalism for current-carrying noncollinear magnetic systems. Physical Review Letters. 98: 036403 |