Publication: Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation
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Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation

- Article in a journal -
 

Area
Chemistry

Author(s)
Adam S. Abbott , Boyi Z. Abbott , Justin M. Turney , Henry F. Schaefer

Published in
The Journal of Physical Chemistry Letters

Year
2021

Publisher
American Chemical Society (ACS)

AD Tools
JAX

BibTeX
@ARTICLE{
         Abbott2021AOD,
       doi = "10.1021/acs.jpclett.1c00607",
       url = "https://doi.org/10.1021/acs.jpclett.1c00607",
       year = "2021",
       month = "mar",
       publisher = "American Chemical Society ({ACS})",
       volume = "12",
       number = "12",
       pages = "3232--3239",
       author = "Adam S. Abbott and Boyi Z. Abbott and Justin M. Turney and Henry F. Schaefer",
       title = "Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic
         Differentiation",
       journal = "The Journal of Physical Chemistry Letters",
       ad_area = "Chemistry",
       ad_tools = "JAX"
}


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