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 | 656 | 2021 |
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 | 28 | 2020 |
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 | 6 | 2023 |
Broadband x-ray absorption spectra from time-dependent Kohn-Sham calculations Y Zhu, B Alam, J Herbert | 6 | 2021 |
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 | 1 | 2022 |
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 |