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

Department of Chemistry

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	English
Journal	Journal of Chemical Theory and Computation
Volume	19
Issue number	18
Pages (from-to)	6242-6254
Number of pages	13
ISSN	1549-9618
DOIs	https://doi.org/10.1021/acs.jctc.3c00670
Publication status	Published - 26 Sept 2023
MoE publication type	A1 Journal article-refereed

Bibliographical note

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

Fields of Science

Approximations
Atoms
Integrals
116 Chemical sciences

Access to Document

10.1021/acs.jctc.3c00670Licence: CC BY

lehtola-2023-automatic-generation-of-accurate-and-cost-efficient-auxiliary-basis-setsFinal published version, 3.76 MBLicence: CC BY

Cite this

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KW - Atoms

KW - Integrals

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JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 18

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Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets

Bibliographical note

Fields of Science

Access to Document

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Cite this