On the definition of the effectively unpaired electron density matrix: A similarity measure approach
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference18 articles.
1. Distribution of odd electrons in ground-state molecules
2. The spin‐optimized SCF general spin orbitals. II. The 2 2S and 2 2P states of the lithium atom
3. Quantum statistical nature of the chemical bond.
4. On spin density and hole distribution relations: valence and free valence
5. Distribution of effectively unpaired electrons
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