| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 652 | 2021 |
| On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes Y Mao, Q Ge, PR Horn, M Head-Gordon Journal of chemical theory and computation 14 (5), 2401-2417, 2018 | 57 | 2018 |
| A guided stochastic energy-domain formulation of the second order Møller–Plesset perturbation theory Q Ge, Y Gao, R Baer, E Rabani, D Neuhauser The Journal of Physical Chemistry Letters 5 (1), 185-189, 2014 | 42 | 2014 |
| Two-dimensional electronic-vibrational spectroscopic study of conical intersection dynamics: an experimental and electronic structure study EC Wu, Q Ge, EA Arsenault, NHC Lewis, NL Gruenke, MJ Head-Gordon, ... Physical Chemistry Chemical Physics 21 (26), 14153-14163, 2019 | 40 | 2019 |
| Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals Q Ge, Y Mao, M Head-Gordon The Journal of chemical physics 148 (6), 2018 | 39 | 2018 |
| Energy decomposition analysis for excimers using absolutely localized molecular orbitals within time-dependent density functional theory and configuration interaction with … Q Ge, M Head-Gordon Journal of chemical theory and computation 14 (10), 5156-5168, 2018 | 25 | 2018 |
| Superposition of fragment excitations for excited states of large clusters with application to helium clusters KD Closser, Q Ge, Y Mao, Y Shao, M Head-Gordon Journal of chemical theory and computation 11 (12), 5791-5803, 2015 | 24 | 2015 |
| Simulating the absorption spectra of helium clusters (N= 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations Q Ge, Y Mao, AF White, E Epifanovsky, KD Closser, M Head-Gordon The Journal of chemical physics 146 (4), 2017 | 15 | 2017 |
| Efficient Methods for Calculating and Analyzing Excited States in Molecular Complexes Q Ge University of California, Berkeley, 2019 | | 2019 |
