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Bushra Alam
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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
6512021
Charge Separation and Charge Transfer in the Low-Lying Excited States of Pentacene
B Alam, AF Morrison, JM Herbert
The Journal of Physical Chemistry C 124 (45), 24653-24666, 2020
282020
Time-dependent density functional theory for x-ray absorption spectra: Comparing the real-time approach to linear response
J Herbert, Y Zhu, B Alam, A Ojha
62023
Broadband x-ray absorption spectra from time-dependent Kohn-Sham calculations
Y Zhu, B Alam, J Herbert
62021
State-specific solvation for restricted active space spin–flip (RAS-SF) wave functions based on the polarizable continuum formalism
B Alam, H Jiang, PM Zimmerman, JM Herbert
The Journal of Chemical Physics 156 (19), 2022
12022
Broadband X-Ray Absorption Spectra
B Alam, J Herbert
2021
Quantum Chemical Studies of Charge-Separated States and X-Ray Absorption Spectroscopy with Time Dependent Kohn-Sham Theory
B Alam
The Ohio State University, 2021
2021
Supporting Information for:“Charge Separation and Charge Transfer in the Low Lying Excited States of Pentacene”
B Alam, AF Morrison, JM Herbert
2020
Vibronic coherence in singlet fission: Results for crystalline tetracene from an ab initio exciton model
J Herbert, A Morrison, B Alam
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
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