Electronic coherence lifetimes of the Fenna–Matthews–Olson complex and light harvesting complex II S Irgen-Gioro, K Gururangan, RG Saer, RE Blankenship, E Harel Chemical science 10 (45), 10503-10509, 2019 | 23 | 2019 |
Is externally corrected coupled cluster always better than the underlying truncated configuration interaction? I Magoulas, K Gururangan, P Piecuch, JE Deustua, J Shen Journal of Chemical Theory and Computation 17 (7), 4006-4027, 2021 | 20 | 2021 |
High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction K Gururangan, JE Deustua, J Shen, P Piecuch The Journal of Chemical Physics 155 (17), 2021 | 15 | 2021 |
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures F Zahariev, P Xu, BM Westheimer, S Webb, J Galvez Vallejo, A Tiwari, ... Journal of Chemical Theory and Computation 19 (20), 7031-7055, 2023 | 10 | 2023 |
Non-uniform excited state electronic-vibrational coupling of pigment–protein complexes S Irgen-Gioro, K Gururangan, AP Spencer, E Harel The Journal of Physical Chemistry Letters 11 (24), 10388-10395, 2020 | 6 | 2020 |
Coherent and dissipative quantum process tensor reconstructions in two-dimensional electronic spectroscopy K Gururangan, E Harel The Journal of Chemical Physics 150 (16), 2019 | 5 | 2019 |
Converging high-level coupled-cluster energetics via adaptive selection of excitation manifolds driven by moment expansions K Gururangan, P Piecuch The Journal of Chemical Physics 159 (8), 2023 | 2 | 2023 |
The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC(;) Study SS Priyadarsini, K Gururangan, J Shen, P Piecuch arXiv preprint arXiv:2405.15864, 2024 | | 2024 |
Recent Advances in Externally Corrected Coupled-Cluster Methods P Piecuch, I Magoulas, K Gururangan, JE Deustua, J Shen | | |