Journal
PHYSICAL REVIEW A
Volume 95, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.95.032507
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Funding
- GSRT of the Hellenic Ministry of Education (ESPA), through Advanced Materials and Devices program [MIS:5002409]
- Oxford Martin Programme on Bio-Inspired Quantum Technologies
- UK Engineering, Physical Sciences Research Council [EP/P007155/1]
- DFG [SFB-762, MA 6787/1-1]
- Engineering and Physical Sciences Research Council [EP/P007155/1] Funding Source: researchfish
- EPSRC [EP/P007155/1] Funding Source: UKRI
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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 H-2 to illustrate this connection and to show how the corresponding measures of correlation compare.
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