Journal
CHEMICAL PHYSICS LETTERS
Volume 514, Issue 4-6, Pages 352-356Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2011.08.032
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Funding
- Consejo Nacional de Ciencia y Tecnologia (CONACyt)
- PROMEP program of the Secretaria de Educacion Publica in Mexico
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The statistical correlation between a pair of electrons in Hartree-Fock orbitals is measured by mutual information and studied in position and in momentum space. We show that there are same-and opposite-spin orbital pairs where the correlation is larger in momentum space. Among these are opposite-spin valence shell pairs where the correlation arises from the indistinguishability of electron spins. (C) 2011 Elsevier B. V. All rights reserved.
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