https://orcid.org/0000-0002-1180-0156
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ABSTRACT
We show that two recently proposed methods for computing singlet and pair density distributions without histograms are particular implementations of the general mapped-averaging framework for deriving alternative ensemble averages for physical properties.
GRAPHICAL ABSTRACT
Disclosure statement
No potential conflict of interest was reported by the authors.
ORCID
Andrew J. Schultz http://orcid.org/0000-0002-1180-0156
David A. Kofke http://orcid.org/0000-0002-2530-8816
Additional information
Funding
This work was supported by the U.S. National Science Foundation, grants OAC-1739145 (Division of Advanced Cyberinfrastructure) and CHE-1464581 (Division of Chemistry).