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Joseph Subotnik
Joseph Subotnik
Professor of Chemistry, Princeton University, University of Pennsylvania
Verified email at sas.upenn.edu - Homepage
Title
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Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
30732015
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
29222006
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
6902021
Understanding the surface hopping view of electronic transitions and decoherence
JE Subotnik, A Jain, B Landry, A Petit, W Ouyang, N Bellonzi
Annual review of physical chemistry 67, 387-417, 2016
3942016
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
JE Subotnik, N Shenvi
The Journal of chemical physics 134 (2), 2011
2812011
Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization
JE Subotnik, S Yeganeh, RJ Cave, MA Ratner
The Journal of chemical physics 129 (24), 2008
2562008
Direct observation of electron–phonon coupling and slow vibrational relaxation in organic–inorganic hybrid perovskites
DB Straus, S Hurtado Parra, N Iotov, J Gebhardt, AM Rappe, JE Subotnik, ...
Journal of the American Chemical Society 138 (42), 13798-13801, 2016
2542016
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
JE Subotnik, W Ouyang, BR Landry
The Journal of chemical physics 139 (21), 2013
2022013
Linear scaling density fitting
A Sodt, JE Subotnik, M Head-Gordon
The Journal of chemical physics 125 (19), 2006
1682006
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
JE Subotnik, A Sodt, M Head-Gordon
The Journal of chemical physics 125 (7), 2006
1682006
How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence
BR Landry, JE Subotnik
The Journal of chemical physics 137 (22), 2012
1632012
The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
JE Subotnik, RJ Cave, RP Steele, N Shenvi
The Journal of chemical physics 130 (23), 2009
1572009
A local correlation model that yields intrinsically smooth potential-energy surfaces
JE Subotnik, M Head-Gordon
The Journal of chemical physics 123 (6), 2005
1372005
Communication: Standard surface hopping predicts incorrect scaling for Marcus’ golden-rule rate: The decoherence problem cannot be ignored
BR Landry, JE Subotnik
The Journal of chemical physics 135 (19), 2011
1342011
Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics
N Shenvi, JE Subotnik, W Yang
The Journal of chemical physics 134 (14), 2011
1342011
An efficient, augmented surface hopping algorithm that includes decoherence for use in large-scale simulations
A Jain, E Alguire, JE Subotnik
Journal of chemical theory and computation 12 (11), 5256-5268, 2016
1322016
On the origin of ground-state vacuum-field catalysis: Equilibrium consideration
TE Li, A Nitzan, JE Subotnik
The Journal of chemical physics 152 (23), 2020
1222020
Molecular polaritonics: Chemical dynamics under strong light–matter coupling
TE Li, B Cui, JE Subotnik, A Nitzan
Annual review of physical chemistry 73, 43-71, 2022
1192022
Ghost transmission: How large basis sets can make electron transport calculations worse
C Herrmann, GC Solomon, JE Subotnik, V Mujica, MA Ratner
The Journal of chemical physics 132 (2), 2010
1142010
Predicting accurate electronic excitation transfer rates via Marcus theory with Boys or Edmiston− Ruedenberg localized diabatization
JE Subotnik, J Vura-Weis, AJ Sodt, MA Ratner
The Journal of Physical Chemistry A 114 (33), 8665-8675, 2010
1082010
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