Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states. | J Comput Chem;39(26): 2173-2182, 2018 Oct 05. | MEDLINE

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Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states.

Morrison, Adrian F; Epifanovsky, Evgeny; Herbert, John M.

Affiliation

Morrison AF; Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio.
Epifanovsky E; Q-Chem Inc., Pleasanton, California.
Herbert JM; Q-Chem Inc., Pleasanton, California.

J Comput Chem ; 39(26): 2173-2182, 2018 Oct 05.

Article in En | MEDLINE | ID: mdl-30368836

Key words

TDDFT; excited states; graphics processing units; quantum chemistry

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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2018 Document type: Article Country of publication: United States

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2018 Document type: Article Country of publication: United States