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Relating correlation measures: the importance of the energy gap

Authors: C.L. Benavides-Riveros, N.N. Lathiotakis, C. Schilling, and M.A.L. Marques

Ref.: Phys. Rev. A 95, 032507 (2017)

Abstract: The concept of correlation is central to all approaches that attempt the description of many-body effects in electronic systems. Multipartite correlation is a quantum information theoretical property that is attributed to quantum states independent of the underlying physics. In quantum chemistry, however, the correlation energy (the energy not seized by the Hartree-Fock ansatz) plays a more prominent role. We show that these two different viewpoints on electron correlation are closely related. The key ingredient turns out to be the energy gap within the symmetry-adapted subspace. We then use a few-site Hubbard model and the stretched H2 to illustrate this connection and to show how the corresponding measures of correlation compare.

Citations: 14 (Google scholar)

DOI: 10.1103/PhysRevA.95.032507

URL: arxiv.org

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Bibtex:

@article{Benavides_Riveros_2017,
	doi = {10.1103/physreva.95.032507},
	url = {https://doi.org/10.1103%2Fphysreva.95.032507},
	year = 2017,
	month = {mar},
	publisher = {American Physical Society ({APS})},
	volume = {95},
	number = {3},
	author = {Carlos L. Benavides-Riveros and Nektarios N. Lathiotakis and Christian Schilling and Miguel A. L. Marques},
	title = {Relating correlation measures: The importance of the energy gap},
	journal = {Physical Review A}
}