Reduced Scaling of Optimal Regional Orbital Localization via Sequential Exhaustion of the Single-Particle Space

Weng, Guorong; Romanova, Mariya; Apelian, Arsineh; Song, Hanbin; Vlček, Vojtěch

doi:10.1021/acs.jctc.2c00315

Title: Reduced Scaling of Optimal Regional Orbital Localization via Sequential Exhaustion of the Single-Particle Space

Journal Article · 11 July 2022 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.2c00315 · OSTI ID:1875575

^[1]; Romanova, Mariya ^[1]; Apelian, Arsineh ^[2]; Song, Hanbin ^[1];

^[1]

Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106-9510, United States
Department of Materials, University of California, Santa Barbara, California 93106-9510, United States

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0022198

OSTI ID:: 1875575

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 8 Vol. 18; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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