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      Symmetry restoration in mean-field approaches

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          Abstract

          The mean-field approximation based on effective interactions or density functionals plays a pivotal role in the description of finite quantum many-body systems that are too large to be treated by ab initio methods. Examples are strongly interacting atomic nuclei and mesoscopic condensed matter systems. In this approach, the linear Schrodinger equation for the exact many-body wave function is mapped onto a non-linear density-dependent one-body potential problem. This approximation, not only provides computationally very simple solutions even for systems with many particles, but due to the non-linearity, it also allows for obtaining solutions that break essential symmetries of the system, often connected with phase transitions. However, mean-field approach suffers from the drawback that the corresponding wave functions do not have sharp quantum numbers and, therefore, many results cannot be compared directly with experimental data. In this article, we discuss general group theoretical techniques to restore the broken symmetries, and provide detailed expressions on the restoration of translational, rotational, spin, isospin, parity and gauge symmetries. In order to avoid the numerical complexity of exact projection techniques, various approximation methods available in the literature are examined. We present applications of the projection methods to simple nuclear models, realistic calculations in relatively small configuration spaces, nuclear energy density functional theory, as well as in other mesoscopic systems. We also discuss applications of projection techniques to quantum statistics in order to treat the averaging over restricted ensembles with fixed quantum numbers. Further, unresolved problems in the application of the symmetry restoration methods to the energy density functional theories are highlighted.

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          Entanglement of Formation of an Arbitrary State of Two Qubits

          The entanglement of a pure state of a pair of quantum systems is defined as the entropy of either member of the pair. The entanglement of formation of a mixed state is defined as the minimum average entanglement of an ensemble of pure states that represents the given mixed state. An earlier paper [Phys. Rev. Lett. 78, 5022 (1997)] conjectured an explicit formula for the entanglement of formation of a pair of binary quantum objects (qubits) as a function of their density matrix, and proved the formula to be true for a special class of mixed states. The present paper extends the proof to arbitrary states of this system and shows how to construct entanglement-minimizing pure-state decompositions.
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            On the Interaction of Electrons in Metals

            E P Wigner (1934)
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              Insights into current limitations of density functional theory.

              Density functional theory of electronic structure is widely and successfully applied in simulations throughout engineering and sciences. However, for many predicted properties, there are spectacular failures that can be traced to the delocalization error and static correlation error of commonly used approximations. These errors can be characterized and understood through the perspective of fractional charges and fractional spins introduced recently. Reducing these errors will open new frontiers for applications of density functional theory.
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                Author and article information

                Journal
                21 January 2019
                Article
                1901.06992
                4654adbd-9155-42f2-91f0-1bb66d2a0d7d

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

                History
                Custom metadata
                76 pages, 29 figures
                nucl-th nucl-ex

                Nuclear physics
                Nuclear physics

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