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We propose that spatial density matrices, which are singularly important in the study of quantum entanglement, encode the electronic fluctuations and correlations responsible for covalent bonding.
The electronic structure of some diatomic molecules
Lennard-Jones, J. E · 1929
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Application of the Pople-Santry-Segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
Wiberg, K · 1968
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Bond index: relation to second-order density matrix and charge fluctuations
Giambiagi, M., Giambiagi, M. & Jorge, F · 1985
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Gaussian basis sets for use in correlated molecular calculations. i. The atoms boron through neon and hydrogen
Thom H. Dunning, J · 1989
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Density matrix formulation for quantum renormalization groups
White, S. R · 1992
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General Atomic and Molecular Electronic Structure System
Schmidt, M. W. et al · 1993
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Atoms in Molecules (Clarendon Press, 1994)
Bader, R. F. W · 1994
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Multiconfiguration wave functions for quantum monte carlo calculations of first-row diatomic molecules
Filippi, C. & Umrigar, C. J · 1996
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Entanglement in quantum critical phenomena
Vidal, G., Latorre, J. I., Rico, E. & Kitaev, A · 2003
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Many-body density matrices for free fermions
Cheong, S.-A. & Henley, C. L · 2004
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Entanglement Entropy of Fermions in Any Dimension and the Widom Conjecture
Gioev, D. & Klich, I · 2006
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Aspects of holographic entanglement entropy
Ryu, S. & Takayanagi, T · 2006
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Bond order and valence indices: A personal account
Mayer, I · 2007
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Entanglement in many-body systems
Amico, L., Fazio, R., Osterloh, A. & Vedral, V · 2008
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Entanglement Spectrum as a Generalization of Entanglement Entropy: Identification of Topological Order in Non-Abelian Fractional Quantum Hall Effect States
Li, H. & Haldane, F. D. M · 2008
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Toulouse, J. & Umrigar, C. J · 2008
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Measuring Renyi Entanglement Entropy in Quantum Monte Carlo Simulations
Special Review: Entanglement in Solvable Many-Particle Models
Peschel, I · 2012
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Renyi Entanglement Entropy of Molecules: Interaction Effects and Signatures of Bonding
Tubman, N. M. & McMinis, J · 2012
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One Molecule, Two Atoms, Three Views, Four Bonds?
Shaik, S., Rzepa, H. S. & Hoffmann, R · 2013
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Critical Comments on “One Molecule, Two Atoms, Three Views, Four Bonds?”
Frenking, G. & Hermann, M · 2013
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Entangled quantum electronic wavefunctions of the Mn 4 CaO 5 \text{Mn}_{4}\text{CaO}_{5} cluster in photosystem II
Kurashige, Y., Chan, G. K.-L. & Yanai, T · 2013
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Renyi entropy of the interacting Fermi liquid
McMinis, J. & Tubman, N. M · 2013
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Hastings, M. B., González, I., Kallin, A. B. & Melko, R. G · 2010
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The density-matrix renormalization group in the age of matrix product states
Schollwöck, U · 2011
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Prospects for release-node quantum monte carlo
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Quadruple bonding in C 2 \text{C}_{2} and analogous eight-valence electron species
Shaik, S. et al · 2012
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Identifying topological order by entanglement entropy
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Oscillating terms in the Renyi entropy of Fermi gases and liquids
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Insights into the perplexing nature of the bonding in c2 from generalized valence bond calculations
Xu, L. T. & Dunning, T. H · 2014
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