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International Workshop on 'New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement'

September 26, 2017 to September 29, 2017
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
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Measures for electron correlation: Nonfreeness

Norbert Mauser
Wolfgang Pauli Institute, Austria

Abstract

The relative entropy of a correlated state and an uncorrelated reference state is a reasonable measure for the degree of correlations [1]. A particular measure, coined “nonfreeness” was introduced by Gottlieb and Mauser [2].
A key question is to which uncorrelated state to compare to. The relative entropy becomes minimal for the uncorrelated reference state that has the same one-particle density matrix as the correlated state, so “nonfreenes” is unique and reasonable. Held and Mauser have demonstrated [3] that for relevant physical situations, such as finite temperatures or a correlation enhanced orbital splitting, other choices of the uncorrelated state, even educated guesses, overestimate correlations.



References

[1] A. Gottlieb and N.J. Mauser, Phys. Rev. Lett. 95 213 (2005).
[2] A. Gottlieb and N.J. Mauser, Int. J. of Quantum Information 5 10 (2007).
[3] K. Held and N.J. Mauser, European Physical Journal B 86 328 (2013).
[4] A. Gottlieb and N.J. Mauser, „Nonfreeness and related functionals for measuring correlation in many-fermion states”, arXiv:1510.04573.