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Rishi, Varun, Ravi, Moneesha, Perera, Ajith, Bartlett, Rodney J. (2023) Dark Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?. The Journal of Physical Chemistry A, 127 (3) 828-834 doi:10.1021/acs.jpca.2c07697

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Reference TypeJournal (article/letter/editorial)
TitleDark Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?
JournalThe Journal of Physical Chemistry A
AuthorsRishi, VarunAuthor
Ravi, MoneeshaAuthor
Perera, AjithAuthor
Bartlett, Rodney J.Author
Year2023 (January 26)Volume127
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.2c07697Search in ResearchGate
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Mindat Ref. ID15677961Long-form Identifiermindat:1:5:15677961:8
GUID0
Full ReferenceRishi, Varun, Ravi, Moneesha, Perera, Ajith, Bartlett, Rodney J. (2023) Dark Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?. The Journal of Physical Chemistry A, 127 (3) 828-834 doi:10.1021/acs.jpca.2c07697
Plain TextRishi, Varun, Ravi, Moneesha, Perera, Ajith, Bartlett, Rodney J. (2023) Dark Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?. The Journal of Physical Chemistry A, 127 (3) 828-834 doi:10.1021/acs.jpca.2c07697
In(2023, January) The Journal of Physical Chemistry A Vol. 127 (3) American Chemical Society (ACS)

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Ravi, Moneesha, Park, Young choon, Perera, Ajith, Bartlett, Rodney J. (2022) The intermediate state approach for doubly excited dark states in EOM-coupled-cluster theory. The Journal of Chemical Physics, 156 (20) 201102 doi:10.1063/5.0091715
Ravi, Moneesha, Perera, Ajith, Park, Young Choon, Bartlett, Rodney J. (2023) Excited states with pair coupled cluster doubles tailored coupled cluster theory. The Journal of Chemical Physics, 159 (9) doi:10.1063/5.0161368
Rishi, Varun, Perera, Ajith, Nooijen, Marcel, Bartlett, Rodney J. (2017) Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?. The Journal of Chemical Physics, 146 (14). 144104pp. doi:10.1063/1.4979078
Byrd, Jason N., Rishi, Varun, Perera, Ajith, Bartlett, Rodney J. (2015) Approximating electronically excited states with equation-of-motion linear coupled-cluster theory. The Journal of Chemical Physics, 143 (16). 164103pp. doi:10.1063/1.4934232
Rishi, Varun, Perera, Ajith, Bartlett, Rodney J. (2019) Behind the success of modified coupled-cluster methods: addition by subtraction. Molecular Physics, 117. 2201-2216 doi:10.1080/00268976.2018.1492748
Rishi, Varun, Perera, Ajith, Bartlett, Rodney J. (2020) A route to improving RPA excitation energies through its connection to equation-of-motion coupled cluster theory. The Journal of Chemical Physics, 153 (23) 234101pp. doi:10.1063/5.0023862
Bartlett, Rodney J., Park, Young Choon, Bauman, Nicholas P., Melnichuk, Ann, Ranasinghe, Duminda, Ravi, Moneesha, Perera, Ajith (2020) Index of multi-determinantal and multi-reference character in coupled-cluster theory. The Journal of Chemical Physics, 153 (23) 234103pp. doi:10.1063/5.0029339
Rishi, Varun, Perera, Ajith, Bartlett, Rodney J. (2016) Assessing the distinguishable cluster approximation based on the triple bond-breaking in the nitrogen molecule. The Journal of Chemical Physics, 144 (12). 124117pp. doi:10.1063/1.4944087
Stanton, John F.; Perera, Ajith; Szalay, P. G. (2025) Tribute to Rodney J. Bartlett. The Journal of Physical Chemistry A, 129 (24). doi:10.1021/acs.jpca.5c02948
Bokhan, Denis, Trubnikov, Dmitrii N., Perera, Ajith, Bartlett, Rodney J. (2019) Similarity-transformed equation-of-motion coupled-cluster singles and doubles method with spin-orbit effects for excited states. The Journal of Chemical Physics, 151 (13). 134110pp. doi:10.1063/1.5121373
KuÅ›, Tomasz, Bartlett, Rodney J. (2009) Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory. The Journal of Chemical Physics, 131 (12). 124310pp. doi:10.1063/1.3236843
 
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