| Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states Y Shu, EG Hohenstein, BG Levine The Journal of Chemical Physics 142 (2), 024102, 2015 | 49 | 2015 |
| Defect-induced conical intersections promote nonradiative recombination Y Shu, BS Fales, BG Levine Nano letters 15 (9), 6247-6253, 2015 | 45 | 2015 |
| Simulated evolution of fluorophores for light emitting diodes Y Shu, BG Levine The Journal of chemical physics 142 (10), 104104, 2015 | 42 | 2015 |
| Do excited silicon–oxygen double bonds emit light? Y Shu, BG Levine The Journal of Physical Chemistry C 118 (14), 7669-7677, 2014 | 26 | 2014 |
| Polyatomic molecules under intense femtosecond laser irradiation A Konar, Y Shu, VV Lozovoy, JE Jackson, BG Levine, M Dantus The Journal of Physical Chemistry A 118 (49), 11433-11450, 2014 | 25 | 2014 |
| Nonradiative recombination via conical intersections arising at defects on the oxidized silicon surface Y Shu, BG Levine The Journal of Physical Chemistry C 119 (4), 1737-1747, 2015 | 24 | 2015 |
| Communication: Non-radiative recombination via conical intersection at a semiconductor defect Y Shu, BG Levine The Journal of chemical physics 139 (8), 081102, 2013 | 23 | 2013 |
| Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors BS Fales, Y Shu, BG Levine, EG Hohenstein The Journal of Chemical Physics 147 (9), 094104, 2017 | 22 | 2017 |
| Understanding nonradiative recombination through defect-induced conical intersections Y Shu, BS Fales, WT Peng, BG Levine The Journal of Physical Chemistry Letters 8 (17), 4091-4099, 2017 | 21 | 2017 |
| Surface structure and silicon nanocrystal photoluminescence: the role of hypervalent silyl groups Y Shu, UR Kortshagen, BG Levine, RJ Anthony The Journal of Physical Chemistry C 119 (47), 26683-26691, 2015 | 21 | 2015 |
| Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters Y Shu, BG Levine The Journal of Chemical Physics 139 (7), 074102, 2013 | 19 | 2013 |
| Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene? Y Shu, DG Truhlar Journal of the American Chemical Society 139 (39), 13770-13778, 2017 | 18 | 2017 |
| Dual-Functional Tamm–Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S1/S0 Conical Intersections Y Shu, KA Parker, DG Truhlar The Journal of Physical Chemistry Letters, 2017 | 16 | 2017 |
| First-principles study of nonradiative recombination in silicon nanocrystals: the role of surface silanol Y Shu, BG Levine The Journal of Physical Chemistry C 120 (40), 23246-23253, 2016 | 15 | 2016 |
| Conical Intersections at the Nanoscale: Molecular Ideas for Materials BG Levine, MP Esch, BS Fales, DT Hardwick, WT Peng, Y Shu Annual Reviews of Physical Chemistry 70, 2019 | 12 | 2019 |
| Dynamics of recombination via conical intersection in a semiconductor nanocrystal WT Peng, BS Fales, Y Shu, BG Levine Chemical science 9 (3), 681-687, 2018 | 12 | 2018 |
| Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by … Y Shu, J Kryven, AG Sampaio de Oliveira-Filho, L Zhang, GL Song, SL Li, ... The Journal of Chemical Physics 151 (10), 104311, 2019 | 10 | 2019 |
| A conical intersection perspective on the low nonradiative recombination rate in lead halide perovskites MP Esch, Y Shu, BG Levine The Journal of Physical Chemistry A 123 (13), 2661-2673, 2019 | 8 | 2019 |
| Improved potential energy surfaces of thioanisole and the effect of upper surface variations on the product distribution upon photodissociation Y Shu, DG Truhlar Chemical Physics 515, 737-743, 2018 | 7 | 2018 |
| Dual-functional Tamm–Dancoff approximation with self-interaction-free orbitals: vertical excitation energies and potential energy surfaces near an intersection seam Y Shu, KA Parker, DG Truhlar The Journal of Physical Chemistry A 121 (51), 9728-9735, 2017 | 4 | 2017 |
Benjamin G LevineMichigan State UniversityVerified email at msu.edu
