Shu Yinan
Shu Yinan
University of Minnesota
Verified email at chemistry.msu.edu - Homepage
Title
Cited by
Cited by
Year
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
492015
Defect-induced conical intersections promote nonradiative recombination
Y Shu, BS Fales, BG Levine
Nano letters 15 (9), 6247-6253, 2015
452015
Simulated evolution of fluorophores for light emitting diodes
Y Shu, BG Levine
The Journal of chemical physics 142 (10), 104104, 2015
422015
Do excited silicon–oxygen double bonds emit light?
Y Shu, BG Levine
The Journal of Physical Chemistry C 118 (14), 7669-7677, 2014
262014
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
252014
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
242015
Communication: Non-radiative recombination via conical intersection at a semiconductor defect
Y Shu, BG Levine
The Journal of chemical physics 139 (8), 081102, 2013
232013
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
222017
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
212017
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
212015
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
192013
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
182017
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
162017
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
152016
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
122019
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
122018
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
102019
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
82019
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
72018
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
42017
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