Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
Author:
Affiliation:
1. Department of Chemistry Ghent University Ghent Belgium
2. Department of Chemistry University of New Brunswick Fredericton New Brunswick Canada
3. Departamento Química Física y Analítica Universidad de Oviedo Oviedo Spain
Funder
Fonds Wetenschappelijk Onderzoek
Ministerio de Ciencia e Innovación
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1456
Reference115 articles.
1. HerbertJM. Reconstructive approaches to one‐ and two‐electron density matrix theory [unpublished dissertation]. Madison (WI): University of Wisconsin‐Madison;2003.
2. Second Quantized Approach to Quantum Chemistry
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4. Atomic decomposition of identity: General formalism for population analysis and energy decomposition
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