Molecule‐Specific Uncertainty Quantification in Quantum Chemical Studies
Author:
Affiliation:
1. ETH Zürich, Laboratorium für Physikalische Chemie Vladimir-Prelog-Weg 2 8093 Zürich Switzerland
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/ijch.202100101
Reference149 articles.
1. T. Helgaker P. Jørgensen J. Olsen Molecular Electronic Structure Theory; John Wiley & Sons Ltd: Chichester UK 2000.
2. R. G. Parr W. Yang Density-Functional Theory of Atoms and Molecules; volume 16 ofInternational Series of Monographs on ChemistryOxford University Press: New York NY USA 1989.
3. J. C. Tully Perspective on “Zur Quantentheorie der Molekeln” Theor. Chem. Acc.2000 103 173–176.
4. Woolley R. G. Quantum theory and molecular structure Adv. Phys.1976 25 27–52.
5. E. Mátyus J. Hutter U. Müller-Herold M. Reiher On the emergence of molecular structure Phys. Rev. A2011 83 052512.
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