Excited-State Studies of Polyacenes: A Comparative Picture Using EOMCCSD, CR-EOMCCSD(T), Range-Separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO

Journal Article · Tue Nov 08 00:00:00 EST 2011 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/ct2005165· OSTI ID:1381396

Lopata, K.; Reslan, R.; Kowalska, M.; Neuhauser, D.; Govind, N.; Kowalski, K.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Molecularly Engineered Energy Materials (MEEM)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001342
• OSTI ID: 1381396
• Journal Information: Journal of Chemical Theory and Computation, Vol. 7, Issue 11; Related Information: MEEM partners with University of California, Los Angeles (lead); University of California, Berkeley; Eastern Washington University; University of Kansas; National Renewable Energy Laboratory; ISSN 1549-9618
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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