Information Theory Meets Quantum Chemistry: A Review and Perspective

In this survey, we begin with a concise introduction to information theory within Shannon’s framework, focusing on the key concept of Shannon entropy and its related quantities: relative entropy, joint entropy, conditional entropy, and mutual information. We then demonstrate how to apply these infor...

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Bibliographic Details
Main Authors: Yilin Zhao, Dongbo Zhao, Chunying Rong, Shubin Liu, Paul W. Ayers
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Entropy
Subjects:
Online Access:https://www.mdpi.com/1099-4300/27/6/644
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