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Lestrange, Patrick J.
18  results:
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1

Interplays of electron and nuclear motions along CO dissoci..:

Shelby, Megan L. ; Wildman, Andrew ; Hayes, Dugan...
Proceedings of the National Academy of Sciences.  118 (2021)  14 - p. , 2021
Link: https://doi.org/10.1073/..
 
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2

The Chronus Quantum software package:

Williams‐Young, David B. ; Petrone, Alessio ; Sun, Shichao...
WIREs Computational Molecular Science.  10 (2019)  2 - p. , 2019
Link: https://doi.org/10.1002/..
 
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3

Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-..:

Kasper, Joseph M. ; Lestrange, Patrick J. ; Stetina, Torin F..
Journal of Chemical Theory and Computation.  14 (2018)  4 - p. 1998-2006 , 2018
Link: https://doi.org/10.1021/..
 
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4

Efficient Implementation of Variation after Projection Gene..:

Lestrange, Patrick J. ; Williams-Young, David B. ; Petrone, Alessio..
Journal of Chemical Theory and Computation.  14 (2018)  2 - p. 588-596 , 2018
Link: https://doi.org/10.1021/..
 
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5

Can Excited State Electronic Coherence Be Tuned via Molecul..:

Lingerfelt, David B. ; Lestrange, Patrick J. ; Radler, Joseph J....
The Journal of Physical Chemistry A.  121 (2017)  9 - p. 1932-1939 , 2017
Link: https://doi.org/10.1021/..
 
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6

Real‐time time‐dependent electronic structure theory:

Goings, Joshua J. ; Lestrange, Patrick J. ; Li, Xiaosong
WIREs Computational Molecular Science.  8 (2017)  1 - p. , 2017
Link: https://doi.org/10.1002/..
 
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7

Ultrafast Excited State Relaxation of a Metalloporphyrin Re..:

Shelby, Megan L. ; Lestrange, Patrick J. ; Jackson, Nicholas E....
Journal of the American Chemical Society.  138 (2016)  28 - p. 8752-8764 , 2016
Link: https://doi.org/10.1021/..
 
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8

Imaging ultrafast excited state pathways in transition meta..:

Chen, Lin X. ; Shelby, Megan L. ; Lestrange, Patrick J....
Faraday Discussions.  194 (2016)  - p. 639-658 , 2016
Link: https://doi.org/10.1039/..
 
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9

Calibration of Energy-Specific TDDFT for Modeling K-edge XA..:

Lestrange, Patrick J. ; Nguyen, Phu D. ; Li, Xiaosong
Journal of Chemical Theory and Computation.  11 (2015)  7 - p. 2994-2999 , 2015
Link: https://doi.org/10.1021/..
 
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10

Energy-Specific Equation-of-Motion Coupled-Cluster Methods ..:

Peng, Bo ; Lestrange, Patrick J. ; Goings, Joshua J...
Journal of Chemical Theory and Computation.  11 (2015)  9 - p. 4146-4153 , 2015
Link: https://doi.org/10.1021/..
 
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11

The consequences of improperly describing oscillator streng..:

Lestrange, Patrick J. ; Egidi, Franco ; Li, Xiaosong
The Journal of Chemical Physics.  143 (2015)  23 - p. , 2015
Link: https://doi.org/10.1063/..
 
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12

Density of States Guided Møller–Plesset Perturbation Theory:

Lestrange, Patrick J. ; Peng, Bo ; Ding, Feizhi...
Journal of Chemical Theory and Computation.  10 (2014)  5 - p. 1910-1914 , 2014
Link: https://doi.org/10.1021/..
 
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13

The Chronus Quantum software package:

Williams‐Young, David B ; Petrone, Alessio ; Sun, Shichao...
qt36f1p562.  , 2020
Link: https://escholarship.org..
 
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14

The Chronus Quantum (ChronusQ) Software Package:

Williams-Young, David B ; Petrone, Alessio ; Sun, Shichao...
http://arxiv.org/abs/1905.01381.  , 2019
Link: http://arxiv.org/abs/190..
 
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15

Ultrafast Excited State Relaxation of a Metalloporphyrin Re..:

Shelby, Megan L ; Lestrange, Patrick J ; Jackson, Nicholas E...
https://orbit.dtu.dk/en/publications/4cd65aaa-c63b-4125-831f-c4a66ad61894.  , 2016
Link: https://orbit.dtu.dk/en/..
 
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