Joshua J Goings
Joshua J Goings
Google Quantum AI
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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
882015
Real‐time time‐dependent electronic structure theory
JJ Goings, PJ Lestrange, X Li
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1341, 2018
832018
Real time propagation of the exact two component time-dependent density functional theory
JJ Goings, JM Kasper, F Egidi, S Sun, X Li
The Journal of chemical physics 145 (10), 104107, 2016
522016
Two-component noncollinear time-dependent spin density functional theory for excited state calculations
F Egidi, S Sun, JJ Goings, G Scalmani, MJ Frisch, X Li
Journal of chemical theory and computation 13 (6), 2591-2603, 2017
482017
Direct atomic-orbital-based relativistic two-component linear response method for calculating excited-state fine structures
F Egidi, JJ Goings, MJ Frisch, X Li
Journal of chemical theory and computation 12 (8), 3711-3718, 2016
402016
Theoretical characterization of conduction-band electrons in photodoped and aluminum-doped zinc oxide (AZO) quantum dots
JJ Goings, AM Schimpf, JW May, RW Johns, DR Gamelin, X Li
The Journal of Physical Chemistry C 118 (46), 26584-26590, 2014
392014
An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra
JJ Goings, X Li
The Journal of chemical physics 144 (23), 234102, 2016
362016
The chronus quantum software package
DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020
322020
Controlling proton-coupled electron transfer in bioinspired artificial photosynthetic relays
E Odella, SJ Mora, BL Wadsworth, MT Huynh, JJ Goings, PA Liddell, ...
Journal of the American Chemical Society 140 (45), 15450-15460, 2018
322018
Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations
JJ Goings, M Caricato, MJ Frisch, X Li
The Journal of chemical physics 141 (16), 164116, 2014
322014
Stability of the complex generalized Hartree-Fock equations
JJ Goings, F Ding, MJ Frisch, X Li
The Journal of chemical physics 142 (15), 154109, 2015
292015
Ab initio two-component Ehrenfest dynamics
F Ding, JJ Goings, H Liu, DB Lingerfelt, X Li
The Journal of chemical physics 143 (11), 114105, 2015
282015
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
A Petrone, JJ Goings, X Li
Physical Review B 94 (16), 165402, 2016
252016
Ab initio non-relativistic spin dynamics
F Ding, JJ Goings, MJ Frisch, X Li
The Journal of chemical physics 141 (21), 214111, 2014
252014
Current development of noncollinear electronic structure theory
JJ Goings, F Egidi, X Li
International Journal of Quantum Chemistry 118 (1), e25398, 2018
212018
Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems
E Odella, BL Wadsworth, SJ Mora, JJ Goings, MT Huynh, D Gust, ...
Journal of the American Chemical Society 141 (36), 14057-14061, 2019
192019
Imaging excited orbitals of quantum dots: experiment and electronic structure theory
L Nienhaus, JJ Goings, D Nguyen, S Wieghold, JW Lyding, X Li, ...
Journal of the American Chemical Society 137 (46), 14743-14750, 2015
192015
Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
E Odella, SJ Mora, BL Wadsworth, JJ Goings, MA Gervaldo, LE Sereno, ...
Chemical science 11 (15), 3820-3828, 2020
142020
Accelerating real-time time-dependent density functional theory with a nonrecursive Chebyshev expansion of the quantum propagator
D Williams-Young, JJ Goings, X Li
Journal of chemical theory and computation 12 (11), 5333-5338, 2016
132016
Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study
ER Sayfutyarova, JJ Goings, S Hammes-Schiffer
The Journal of Physical Chemistry B 123 (2), 439-447, 2018
112018
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Artiklar 1–20