1,521 research outputs found
Relating correlation measures: the importance of the energy gap
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 to illustrate this
connection and to show how the corresponding measures of correlation compare.Comment: 6 pages, 3 figure
Physical Wigner functions
In spite of their potential usefulness, the characterizations of Wigner
functions for Bose and Fermi statistics given by O'Connell and Wigner himself
almost thirty years ago has drawn little attention. With an eye towards
applications in quantum chemistry, we revisit and reformulate them in a more
convenient way.Comment: Latex, 10 page
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