Publications

  1.  Gabriel Antonius and Steven G. Louie, “Temperature-Induced Topological Phase Transitions: Promoted versus Suppressed Nontrivial Topology,” Phys. Rev. Lett. 117, 246401 (2016). DOI: https://doi.org/10.1103/PhysRevLett.117.246401
  2. Felipe H. da Jornada, Diana Y. Qiu, and Steven G. Louie, “Non-uniform sampling schemes of the brillouin zone for many-electron perturbation theory calculations in reduced dimensionality,” Phys. Rev. B 95, 035109 (2017). DOI: https://doi.org/10.1103/PhysRevB.95.035109
  3. Huawei Cao, Zhongyuan Yu, Pengfei Lu, and Lin-Wang Wang, “Fully converged plane-wave-based self-consistent GW calculations of periodic solids,” Phys. Rev. B 95, 035139 (2017). DOI: https://doi.org/10.1103/PhysRevB.95.035139
  4. Vojtech Vlcek, Eran Rabani, Daniel Neuhauser, Roi Baer. “Stochastic GW calculations for molecules.” Submitted December 28, 2016. Link: https://arxiv.org/abs/1612.08999
  5. Rangel, T., M. Fregoso, B., Mendoza, B. S., Morimoto, T., Moore, J. E. and Neaton, J. B., Large Bulk Photovoltaic Effect and Spontaneous Polarization of Single-Layer Monochalcogenides Phys. Rev. Lett. 119, 067402 (2017) arXiv:1610.06589; https://doi.org/10.1103/PhysRevLett.119.067402
  6. Berland, K., Jiao, Y., Lee, J.-H., Rangel, T., Neaton, J. B. and Hyldgaard, P. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules (2017), J. Chem. Phys. 146, 234106 (2017); http://dx.doi.org/10.1063/1.4986522; arXiv:1703.06517
  7. Rangel, T., Hamed, S. M., Bruneval, F. and Neaton, J. B., An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation, J. Chem. Phys. 146, 194108 (2017); http://dx.doi.org/10.1063/1.4983126; arXiv:1702.02182
  8. “Origins of singlet fission in solid pentacene from an ab initio Green’s-function approach”, S. Refaely-Abramson, F. H. da Jornada, S. G. Louie, and J. B. Neaton, submitted to Phys. Rev. Lett., arXiv:1706.01564 [cond-mat.mtrl-sci]
    5. Quasiparticle spectra from molecules to bulk Vojtech Vlcek, Eran Rabani and Daniel Neuhauser, submitted for publication, 2017. arXiv:1708.03848v1 https://arxiv.org/pdf/1708.03848
  9. T. Y. Takeshita, W. A. de Jong, D. Neuhauser, R. Baer and E. Rabani, “A stochastic formulation of the resolution of identity: Application to second order Møller-Plesset perturbation theory,” J. Chem Theory Comput. 2017. doi: 10.1021/acs.jctc.7b00343
  10. Vojtech Vlcek, Eran Rabani, Daniel Neuhauser and Roi Baer, Stochastic GW Calculations for Molecules, J Chem Theory Comput. 2017 doi:10.1021/acs.jctc.7b00770.
  11. Sakurai M., Chelikowsky J.R., Louie S.G., and Saito S., “Quasiparticle energies and dielectric functions of diamond polytypes,” Phys. Rev. Mater. (in press)
  12. Long Ju, Lei Wang, Ting Cao, Takashi Taniguchi, Kenji Watanabe, James Hone, Steve G. Louie, Farhan Rana, Jiwoong Park, Feng Wang and Paul L. McEuen, “Tunable Excitons in Bilayer Graphene.” Accepted to Science.