Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg (2017). Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation, 13(5):2202-2214.
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Item Type: | Journal Article, refereed, original work |
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Communities & Collections: | 07 Faculty of Science > Department of Chemistry |
Dewey Decimal Classification: | 540 Chemistry |
Scopus Subject Areas: | Physical Sciences > Computer Science Applications
Physical Sciences > Physical and Theoretical Chemistry |
Language: | English |
Date: | 2017 |
Deposited On: | 04 Jul 2017 14:15 |
Last Modified: | 26 Jan 2022 13:07 |
Publisher: | American Chemical Society (ACS) |
ISSN: | 1549-9618 |
OA Status: | Closed |
Publisher DOI: | https://doi.org/10.1021/acs.jctc.7b00148 |
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Authors, Affiliations, Collaborations


University of Zurich, Zurich, Switzerland
Aalto University, Espoo, Finland
Aalto University, Espoo, Finland
University of Zurich, Zurich, Switzerland
University of Zurich, Zurich, Switzerland
Source of ORCID ID: Import from Crossref