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Patrick J Lestrange
Patrick J Lestrange
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Cited by
Year
Real‐time time‐dependent electronic structure theory
JJ Goings, PJ Lestrange, X Li
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1341, 2018
179*2018
Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy
B Peng, PJ Lestrange, JJ Goings, M Caricato, X Li
Journal of chemical theory and computation 11 (9), 4146-4153, 2015
1262015
The Chronus Quantum software package
DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science, e1436, 2019
1042019
Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy
ML Shelby, PJ Lestrange, NE Jackson, K Haldrup, MW Mara, AB Stickrath, ...
Journal of the American Chemical Society 138 (28), 8752-8764, 2016
1032016
Calibration of energy-specific TDDFT for modeling K-edge XAS spectra of light elements
PJ Lestrange, PD Nguyen, X Li
Journal of Chemical Theory and Computation 11 (7), 2994-2999, 2015
1032015
Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory
JM Kasper, PJ Lestrange, TF Stetina, X Li
Journal of Chemical Theory and Computation 14 (4), 1998-2006, 2018
612018
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation
PJ Lestrange, F Egidi, X Li
The Journal of Chemical Physics 143 (23), 2015
502015
Time-dependent configuration interaction using the graphical unitary group approach: Nonlinear electric properties
PJ Lestrange, MR Hoffmann, X Li
Advances in Quantum Chemistry 76, 295-313, 2018
232018
Efficient implementation of variation after projection generalized Hartree–Fock
PJ Lestrange, DB Williams-Young, A Petrone, CA Jiménez-Hoyos, X Li
Journal of Chemical Theory and Computation 14 (2), 588-596, 2018
182018
Can excited state electronic coherence Be tuned via molecular structural modification? A first-principles quantum electronic dynamics study of pyrazolate-bridged Pt (II) dimers
DB Lingerfelt, PJ Lestrange, JJ Radler, SE Brown-Xu, P Kim, ...
The Journal of Physical Chemistry A 121 (9), 1932-1939, 2017
172017
Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source
LX Chen, ML Shelby, PJ Lestrange, NE Jackson, K Haldrup, MW Mara, ...
Faraday discussions 194, 639-658, 2016
152016
Interplays of electron and nuclear motions along CO dissociation trajectory in myoglobin revealed by ultrafast X-rays and quantum dynamics calculations
ML Shelby, A Wildman, D Hayes, MW Mara, PJ Lestrange, M Cammarata, ...
Proceedings of the National Academy of Sciences 118 (14), e2018966118, 2021
132021
Wiley Interdiscip
DB Williams-Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ...
Rev.: Comput. Mol. Sci 10 (2), e1436, 2020
92020
Themed collection Ultrafast Imaging of Photochemical Dynamics
RS Minns, A Kirrander, RJD Miller, K Veyrinas, V Gruson, SJ Weber, ...
Faraday Discuss 194, 835-837, 2016
82016
Chronus Quantum
X Li, E Valeev, D Williams-Young, A Petrone, S Sun, T Stetina, A Wildman, ...
Beta 0.2 version. http://www. chronusquantum. org, 2018
42018
Density of States Guided Møller–Plesset Perturbation Theory
PJ Lestrange, B Peng, F Ding, GW Trucks, MJ Frisch, X Li
Journal of Chemical Theory and Computation 10 (5), 1910-1914, 2014
42014
What We Talk About When We Talk About Climate Change
PJ Lestrange
Global Consensus on Climate Change: Paris Agreement and the Path Beyond, 31-39, 2019
2019
Modeling X-ray absorption spectroscopy with TDDFT
J Kasper, P Lestrange, T Stetina, X Li
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Ultrafast Reaction Pathways in a Metalloprotein Revealed by Optical Polarization Selected X-ray Transient Absorption Spectroscopy and Quantum Mechanical Calculations
ML Shelby, D Hayes, P Lestrange, K Fransted, X Li, LX Chen
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 74, A450-A450, 2018
2018
Controlling coherent electron transfer in bi-nuclear platinum complexes
P Lestrange, D Lingerfelt, X Li, L Chen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
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Articles 1–20