Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock

Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock

Bibliographic Details
Main Authors:	Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh, Alán Aspuru-Guzik
Format:	Article
Language:	English
Published:	American Chemical Society 2018-05-01
Series:	ACS Central Science
Online Access:	https://doi.org/10.1021/acscentsci.7b00586

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