Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets

Susi Lehtola

doi:10.1021/acs.jctc.3c00670

Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets

Kemian osasto

Tutkimustuotos: Artikkelijulkaisu › Artikkeli › Tieteellinen › vertaisarvioitu

Alkuperäiskieli	englanti
Lehti	Journal of Chemical Theory and Computation
Vuosikerta	19
Numero	18
Sivut	6242-6254
Sivumäärä	13
ISSN	1549-9618
DOI - pysyväislinkit	https://doi.org/10.1021/acs.jctc.3c00670
Tila	Julkaistu - 26 syysk. 2023
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

Lisätietoja

Funding Information:
We thank the Academy of Finland for financial support under project numbers 350282 and 353749. We thank CSC–IT Centre for Science (Espoo, Finland) for computational resources.

Publisher Copyright:
© 2023 The Author. Published by American Chemical Society.

Tieteenalat

116 Kemia

Pääsy asiakirjaan

10.1021/acs.jctc.3c00670Lisenssi: CC BY

lehtola-2023-automatic-generation-of-accurate-and-cost-efficient-auxiliary-basis-setsLopullinen julkaistu versio, 3,76 MBLisenssi: CC BY

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Link to publication in Scopus

Siteeraa tätä

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