Quantum similarity study of atomic density functions: Insights from information theory and the role of relativistic effects
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2428295
Reference32 articles.
1. Foundations and recent developments on molecular quantum similarity
2. Molecular Quantum Similarity: Theory and Applications
3. The use of density functional theory-based reactivity descriptors in molecular similarity calculations
4. Systematic Study of the Quality of Various Quantum Similarity Descriptors. Use of the Autocorrelation Function and Principal Component Analysis
5. Conceptual Density Functional Theory
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2. Generalized quantum similarity index: An application to pseudoharmonic oscillator with isospectral potentials in 3D;International Journal of Quantum Chemistry;2020-10-24
3. Information‐theoretic approach in density functional theory and its recent applications to chemical problems;WIREs Computational Molecular Science;2019-12-30
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