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arXiv:1910.04790

Multimode entanglement for fermions

Michel Rouleux

Published Oct 10, 2019• 0 citations
arXivHTMLPDF

Abstract

We are motivated by tripartite entanglement for fermions. While GHZ or W states involve 3-fold intrication, we consider here piecewise intrication of 3 fermions in ${\bf C}^2$, namely of type $ab+bc+ca$. Before interaction with Stern-Gerlach apparatus, qu-bits are distinguishable; at the output however they turn into un-distinguishable particles, whose anti-symmetric wave function is of the form $\det(b-a,c-a)$ (affine determinant). More generally, $d+1$ intricated fermions in ${\bf C}^d$ can be represented by the anti-symmetric wave function $\det(a_1-a_0,a_2-a_0,\cdots,a_d-a_0)$. We investigate also properties of affine Slater determinants, as expectation values or reduced density matrices.

DOI
10.48550/arxiv.1910.04790

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We are motivated by tripartite entanglement for fermions. While GHZ or W states involve 3-fold intrication, we consider here piecewise intrication of 3 fermions in C2{\bf C}^2C2, namely of type ab+bc+caab+bc+caab+bc+ca. Before interaction with Stern-Gerlach apparatus, qu-bits are distinguishable; at the output however they turn into un-distinguishable particles, whose anti-symmetric wave function is of the form det⁡(b−a,c−a)\det(b-a,c-a)det(b−a,c−a) (affine determinant). More generally, d+1d+1d+1 intricated fermions in Cd{\bf C}^dCd can be represented by the anti-symmetric wave function det⁡(a1−a0,a2−a0,⋯ ,ad−a0)\det(a_1-a_0,a_2-a_0,\cdots,a_d-a_0)det(a1​−a0​,a2​−a0​,⋯,ad​−a0​). We investigate also properties of affine Slater determinants, as expectation values or reduced density matrices.
Orbital rotations are used in quantum many-body physics and chemistry to reduce the complexity of quantum states by compressing their correlation into a small set of relevant orbitals. In striking contrast, quantum information processing strives for the opposite: orbitals that maximize entanglement as a resource. Motivated by this, we prove that Slater determinants of NNN fermions on a lattice of dA+dB=dd_A + d_B = ddA​+dB​=d sites, although free of particle correlation, can carry up to min⁡{dA,dB,N,d−N}\min\{d_A, d_B, N, d-N\}min{dA​,dB​,N,d−N} ebits of orbital entanglement. Given enough particles and holes, this equals the maximum over all fermionic states. For arbitrary free states, we derive the maximal orbital total correlation in closed form for all bipartitions, the finest partition, and all partitions of up to five sites, using new majorization relations for Hermitian matrices. Taken together, these results turn mean-field states, the starting point of most many-body methods in physics and chemistry, into a viable resource for quantum information processing.
A variational formalism for the determination of the spinless single-particle density matrix $\ensuremath{\gamma}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}, {\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}^{\ensuremath{'}})$ for an interacting many-particle system, correct to second order, is developed. The method is based on variational principles for determining single-particle expectation values, correct to second order, without requiring highly accurate wave functions in order to represent the interacting system. The expectation value of the operator X=Y+iZX=Y+iZX=Y+iZ, where $Y=(\frac{1}{2}){\ensuremath{\Sigma}}_{j}[W({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{i}){T}_{j}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}})+W({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{j}^{\ensuremath{'}}){T}_{j}(\ensuremath{-}\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}})]$, $Z=\ensuremath{-}(\frac{i}{2}){\ensuremath{\Sigma}}_{j}[W({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{j}){T}_{j}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}})\ensuremath{-}W({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{j}^{\ensuremath{'}}){T}_{j}(\ensuremath{-}\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}})]$, $W({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{j})=\ensuremath{\delta}({\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{j}\ensuremath{-}\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$, ${T}_{j}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}})$ is a translation operator, and $\stackrel{\ensuremath{\rightarrow}}{\mathrm{a}}={\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}^{\ensuremath{'}}\ensuremath{-}\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}$, is the reduced single-particle density matrix. For a given choice of a Slater-determinant-type trial wave function it is shown that the density matrix may be obtained from the charge density of the system where the latter too is determined via the same formalism to second order as the expectation value of the operator WWW employing the same system trial wave function. The applicability of the technique is then demonstrated by showing that for the model hydrogen-atom problem it leads to highly accurate results for the momentum density and the Compton profile in the impulse approximation, and that the virial theorem is closely satisfied, even when the calculations of the various properties employing an approximate trial wave function alone are substantially in error.
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We analyze fermionic entanglement and correlation measures in the ground and the low temperature thermal state of the water molecule as a function of the internuclear distance in the context of the full configuration interaction approach. The aim is to obtain a general entanglement based characterization of the electronic eigenstates. We consider first the spin-up - spin-down partition and the associated Schmidt decomposition, examining the total up-down entanglement of the electronic wave function. We then consider the one- and two-body entanglement derived from the one- and two-body reduced density matrices (DMs), which measure both the deviation of the state from a Slater Determinant (SD) as well as the up-down correlation at the two-body level. All blocks of these DMs are examined. We also introduce and analyze new measures like the up-down two-body mutual information and two types of two-body negativities, the latter measuring the "inner" entanglement of the reduced two-body DMs, i.e., their deviation from a convex mixture of SDs. Finally, the dissociation limit is also analyzed, considering both the exact ground state (GS) as well as the thermal state in the zero temperature limit, representing the projector onto the "GS band" of almost degenerate lowest lying eigenstates.