# Quantum Chemistry

Linear scalability of density functional theory calculations without imposing electron localization. arXiv:2108.13478 [physics] Submitted. Publisher's VersionAbstract qpjsuppl.pdf

Tempering stochastic density functional theory. arXiv:2107.06218 [physics] Submitted. Publisher's VersionAbstract nguyen2021tempering.pdf

The high frequency limit of spectroscopy. arXiv:2101.09467 [cond-mat] Submitted. Publisher's VersionAbstract 2101.09467.pdf

Time-resolving the ultrafast H2 roaming chemistry and H3+ formation using extreme-ultraviolet pulses. Communications Chemistry 2020, 3 49. Publisher's Version livshits2020time.pdf

Dopant levels in large nanocrystals using stochastic optimally tuned range-separated hybrid density functional theory. Physical Review B 2020, 102, 035112. Publisher's Version lee2020dopant.pdf

Range-separated stochastic resolution of identity: Formulation and application to second-order Green’s function theory. The Journal of Chemical Physics 2020, 153, 074113. Publisher's VersionAbstract dou2020range.pdf

Energy window stochastic density functional theory. The Journal of Chemical Physics 2019, 151, 114116. Publisher's Version chen2019energy.pdf

Stochastic Resolution of Identity for Real-Time Second-Order Green’s Function: Ionization Potential and Quasi-Particle Spectrum. Journal of Chemical Theory and Computation 2019. Publisher's VersionAbstract dou2019stochastic.pdf

Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory within the Kubo-Greenwood formalism. Physical Review B 2019, 100. Publisher's VersionAbstract cytter2019transition.pdf

Quantum Monte Carlo assessment of density functionals for π-electron molecules: ethylene and bifuran. 2019, 117, 2241–2250. Publisher's VersionAbstract ospadov2019quantum.pdf

Making Sense of Coulomb Explosion Imaging. J. Phys. Chem. Lett. 2019, 10, 1361–1367. Publisher's VersionAbstract luzon2019making.pdf

Stochastic GW calculations for molecules. J. Chem. Theory Comput. 2017, 13, 4997–5003.Abstract vlcek2017stoch.pdf

Stochastic self-consistent second-order Green’s function method for correlation energies of large electronic systems. J. Chem. Theory Comput. 2017, 13, 5396−5403.Abstract neuhauser2017.pdf

Spontaneous charge carrier localization in extended one-dimensional systems. Phys. Rev. Lett. 2016, 116, 186401.Abstract vlcek2016.pdf

Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory. J. Phys. Chem. A 2015, 120, 3071–3078.Abstract neuhauser2015.pdf

Time-dependent stochastic Bethe-Salpeter approach. Phys. Rev. B 2015, 91, 235302.Abstract rabani2015.pdf

Sublinear scaling for time-dependent stochastic density functional theory. J. Chem. Phys. 2015, 142, 034106.Abstract gao2015.pdf

Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic GW Approach. Phys. Rev. Lett. 2014, 113, 076402.Abstract neuhauser2014.pdf

Effects of Electromagnetic Coupling on Conductance Switching of a Gated Tunnel Junction. The Journal of Physical Chemistry Letters 2014, 5 3545–3550.Abstract baratz2014.pdf

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional. J. Chem. Theory Comput. 2014, 10, 1934–1952.Abstract egger2014.pdf