Collection: TD-DFT and EOM-CCSD Calculations for the GDB-9-Ex Dataset

Mehta, Kshitij; Pasini, Massimiliano Lupo; Ganyushin, Dmitry; Yoo, Pilsun; Irle, Stephan

doi:10.1109/IEEEDATA.2025.3556080

Collection: TD-DFT and EOM-CCSD Calculations for the GDB-9-Ex Dataset

Journal Article · Tue Dec 31 23:00:00 EST 2024 · IEEE Data Descriptions

DOI:https://doi.org/10.1109/IEEEDATA.2025.3556080· OSTI ID:2561503

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Oak Ridge National Laboratory, Oak Ridge, TN, USA

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Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2561503

Alternate ID(s):: OSTI ID: 3002750

Journal Information:: IEEE Data Descriptions, Journal Name: IEEE Data Descriptions Vol. 2; ISSN 2995-4274

Publisher:: Institute of Electrical and Electronics EngineersCopyright Statement

Country of Publication:: Country unknown/Code not available

Language:: English

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