Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms

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Bibliographic Details
Main Authors: Saadiallakh Normatov, Pavel V. Nesterov, Timur A. Aliev, Alexandra A. Timralieva, Alexander S. Novikov, Ekaterina V. Skorb
Format: Article
Language:English
Published: American Chemical Society 2025-02-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.4c09861
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