Tim J Zuehlsdorff
Title
Cited by
Cited by
Year
Linear-scaling time-dependent density-functional theory in the linear response formalism
TJ Zuehlsdorff, NDM Hine, JS Spencer, NM Harrison, DJ Riley, ...
The Journal of chemical physics 139 (6), 064104, 2013
602013
Solvent effects on electronic excitations of an organic chromophore
TJ Zuehlsdorff, PD Haynes, F Hanke, MC Payne, NDM Hine
Journal of chemical theory and computation 12 (4), 1853-1861, 2016
522016
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
TJ Zuehlsdorff, PD Haynes, MC Payne, NDM Hine
The Journal of chemical physics 146 (12), 124504, 2017
432017
Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution
TJ Zuehlsdorff, CM Isborn
The Journal of chemical physics 148 (2), 024110, 2018
402018
Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local …
TJ Zuehlsdorff, NDM Hine, MC Payne, PD Haynes
The Journal of chemical physics 143 (20), 204107, 2015
322015
Modeling absorption spectra of molecules in solution
TJ Zuehlsdorff, CM Isborn
International Journal of Quantum Chemistry 119 (1), e25719, 2019
252019
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches
TJ Zuehlsdorff, A Montoya-Castillo, JA Napoli, TE Markland, CM Isborn
The Journal of chemical physics 151 (7), 074111, 2019
192019
The ONETEP linear-scaling density functional theory program
JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...
The Journal of chemical physics 152 (17), 174111, 2020
182020
Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water
TJ Zuehlsdorff, JA Napoli, JM Milanese, TE Markland, CM Isborn
The Journal of chemical physics 149 (2), 024107, 2018
172018
Distance dependent photoacoustics revealed through DNA nanostructures
J Joseph, KN Baumann, P Koehler, TJ Zuehlsdorff, DJ Cole, J Weber, ...
Nanoscale 9 (42), 16193-16199, 2017
11*2017
Computing the optical properties of large systems
TJ Zuehlsdorff
Springer, 2015
102015
Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane
JH Li, TJ Zuehlsdorff, MC Payne, NDM Hine
Physical Chemistry Chemical Physics 17 (18), 12065-12079, 2015
72015
Influence of electronic polarization on the spectral density
TJ Zuehlsdorff, H Hong, L Shi, CM Isborn
The Journal of Physical Chemistry B 124 (3), 531-543, 2019
62019
Implicit and explicit host effects on excitons in pentacene derivatives
RJ Charlton, RM Fogarty, S Bogatko, TJ Zuehlsdorff, NDM Hine, ...
The Journal of chemical physics 148 (10), 104108, 2018
62018
Exploiting machine learning to efficiently predict multidimensional optical spectra in complex environments
MS Chen, TJ Zuehlsdorff, T Morawietz, CM Isborn, TE Markland
The Journal of Physical Chemistry Letters 11 (18), 7559-7568, 2020
52020
Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions
TJ Zuehlsdorff, H Hong, L Shi, CM Isborn
The Journal of Chemical Physics 153 (4), 044127, 2020
52020
Effect of ions on the optical absorption spectra of aqueously solvated chromophores
SV Shedge, TJ Zuehlsdorff, MJ Servis, AE Clark, CM Isborn
The Journal of Physical Chemistry A 123 (29), 6175-6184, 2019
52019
Vibronic and Environmental Effects in Simulations of Optical Spectroscopy
TJ Zuehlsdorff, SV Shedge, SY Lu, H Hong, VP Aguirre, L Shi, CM Isborn
Annual Review of Physical Chemistry 72, 0
1
Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy
SV Shedge, TJ Zuehlsdorff, A Khanna, S Conley, CM Isborn
The Journal of Chemical Physics 154 (8), 084116, 2021
2021
New methods for revealing the effects of solvent in optical spectroscopy
T Zuehlsdorff, AM Castillo, S Shedge, J Napoli, M Servis, A Clark, L Shi, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
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Articles 1–20