Comment on ‘Characterizing unpaired electrons from one-particle density matrix’ [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508–511]
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference10 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. On spin density and hole distribution relations: valence and free valence
4. A density functional method for degenerate spin-multiplet components
5. On the density matrix of effectively unpaired electrons
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