arXiv subjects
Publications and source records attributed to Szilárd Szalay.
We present two general methods to implement quantum circuits for the direct measuring of local unitary invariants on quantum computers. We work these out for important three-qubit invariants, and also demonstrate these on the IBM Quantum Platform for important entanglement measures of three qubits.
We construct an important missing piece in the entanglement theory of pure three-qubit states, which is a polynomial measure of W-entanglement, working in parallel to the three-tangle, which is a polynomial measure of GHZ-entanglement, and to the bipartite concurrence, which is a polynomial measure of bipartite entanglement. We also show that these entanglement measures are ordered, the bipartite measure is larger than the W measure, which is larger than the GHZ measure. It is meaningful then to consider these three types of three-qubit entanglement, which are also ordered, bipartite is weaker than W, which is weaker than GHZ, in parallel to the order of the three equivalence classes of entangled three-qubit states.
We show that all reduced states of nonproduct symmetric Dicke states of arbitrary number of qudits are genuinely multipartite entangled, and of nonpositive partial transpose with respect to any subsystem.
We work out the general theory of one-parameter families of partial entanglement properties and the resulting entanglement depth-like quantities. Special cases of these are the depth of partitionability, the depth of producibility (or simply entanglement depth) and the depth of stretchability, which are based on one-parameter families of partial entanglement properties known earlier. We also construct some further physically meaningful properties, for instance the squareability, the toughness, the degree of freedom, and also several ones of entropic motivation. Metrological multipartite entanglement criteria with the quantum Fisher information fit naturally into this framework. Here we formulate these for the depth of squareability, which therefore turns out to be the natural choice, leading to stronger bounds than the usual entanglement depth. Namely, the quantum Fisher information turns out to provide a lower bound not only on the maximal size of entangled subsystems, but also on the average size of entangled subsystems for a random choice of elementary subsystems. We also formulate criteria with convex quantities for both cases, which are much stronger than the original ones. In particular, the quantum Fisher information puts a lower bound on the average size of entangled subsystems. We also argue that one-parameter partial entanglement properties, which carry entropic meaning, are more suitable for the purpose of defining metrological bounds.
In this paper, we revisit the concept of noncommuting common causes; refute two objections raised against them, the triviality objection and the lack of causal explanatory force; and explore how their existence modifies the EPR argument. More specifically, we show that 1) product states screening off all quantum correlations do not compromise noncommuting common causal explanations; 2) noncommuting common causes can satisfy the law of total probability; 3) perfect correlations can have indeterministic noncommuting common causes; and, as a combination of the above claims, 4) perfect correlations can have noncommuting common causes which are both nontrivial and satisfy the law of total probability.
In this work, we present a brief overview of the fermionic mode optimization within the framework of tensor network state methods [PRL 117,210402(2016)], and demonstrate that it has the potential to compress the multireference character of the wave functions after finding optimal molecular orbitals (modes), based on entanglement minimization. Numerical simulations have been performed for the nitrogen dimer in the cc-pVDZ basis for the equilibrium and for stretched geometries.
The operator algebra of fermionic modes is isomorphic to that of qubits, the difference between them is twofold: the embedding of subalgebras corresponding to mode subsets and multiqubit subsystems on the one hand, and the parity superselection in the fermionic case on the other. We discuss these two fundamental differences extensively, and illustrate these through the Jordan--Wigner representation in a coherent, self-contained, pedagogical way, from the point of view of quantum information theory. Our perspective leads us to develop useful new tools for the treatment of fermionic systems, such as the fermionic (quasi-)tensor product, fermionic canonical embedding, fermionic partial trace, fermionic products of maps and fermionic embeddings of maps. We formulate these by direct, easily applicable formulas, without mode permutations, for arbitrary partitionings of the modes. It is also shown that fermionic reduced states can be calculated by the fermionic partial trace, containing the proper phase factors. We also consider variants of the notions of fermionic mode correlation and entanglement, which can be endowed with the usual, local operation based motivation, if the parity superselection rule is imposed. We also elucidate some other fundamental points, related to joint map extensions, which make the parity superselection inevitable in the description of fermionic systems.
In multipartite entanglement theory, the partial separability properties have an elegant, yet complicated structure, which boils down in the case when multipartite correlations are considered. In this work, we elaborate this, by giving necessary and sufficient conditions for the existence and uniqueness of the class of a given class-label, by the use of which we work out the structure of the classification for some important particular cases, namely, for the finest classification, for the classification based on k-partitionability and k-producibility, and for the classification based on the atoms of the correlation properties.
The main concern of this paper is how to define proper measures of multipartite entanglement for mixed quantum states. Since the structure of partial separability and multipartite entanglement is getting complicated if the number of subsystems exceeds two, one can not expect the existence of an ultimate scalar entanglement measure, which grasps even a small part of the rich hierarchical structure of multipartite entanglement, and some higher order structure characterizing that is needed. In this paper we make some steps towards this direction. First, we reveal the lattice-theoretic structure of the partial separability classification, introduced earlier [Sz. Szalay and Z. Kokenyesi, Phys. Rev. A 86, 032341 (2012)]. It turns out that, mathematically, the structure of the entanglement classes is the up-set lattice of the structure of the different kinds of partial separability, which is the down-set lattice of the lattice of the partitions of the subsystems. It turns also out that, physically, this structure is related to the LOCC convertibility: If a state from a class can be mapped into another one, then that class can be found higher in the hierarchy. Second, we introduce the notion of multipartite monotonicity, expressing that a given set of entanglement monotones, while measuring the different kinds of entanglement, shows also the same hierarchical structure as the entanglement classes. Then we construct such hierarchies of entanglement measures, and propose a physically well-motivated one, being the direct multipartite generalization of the entanglement of formation based on the entanglement entropy, motivated by the notion of statistical distinguishability. The multipartite monotonicity shown by this set of measures motivates us to consider the measures to be the different manifestations of some "unified" notion of entanglement.
The notions of $k$-separability and $k$-producibility are useful and expressive tools for the characterization of entanglement in multipartite quantum systems, when a more detailed analysis would be infeasible or simply needless. In this work we reveal a partial duality between them, which is valid also for their correlation counterparts. This duality can be seen from a much wider perspective, when we consider the entanglement and correlation properties which are invariant under the permutations of the subsystems. These properties are labeled by Young diagrams, which we endow with a refinement-like partial order, to build up their classification scheme. This general treatment reveals a new property, which we call $k$-stretchability, being sensitive in a balanced way to both the maximal size of correlated (or entangled) subsystems and the minimal number of subsystems uncorrelated with (or separable from) one another.
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitated remarkable improvements of numerical methods and may lead to a more comprehensive foundation for chemical bonding theory. Building on this promising development, our work provides a refined discussion of quantum information theoretical concepts by introducing the physical correlation and its separation into classical and quantum parts as distinctive quantifiers of electronic structure. In particular, we succeed in quantifying the entanglement. Intriguingly, our results for different molecules reveal that the total correlation between orbitals is mainly classical, raising questions about the general significance of entanglement in chemical bonding. Our work also shows that implementing the fundamental particle number superselection rule, so far not accounted for in quantum chemistry, removes a major part of correlation and entanglement previously seen. In that respect, realizing quantum information processing tasks with molecular systems might be more challenging than anticipated.
We found three qubit Greenberger-Horne-Zeilinger diagonal states which tells us that the partial separability of three qubit states violates the distributive rules with respect to the two operations of convex sum and intersection. The gaps between the convex sets involving the distributive rules are of nonzero volume.
Recently, the correlation theory of the chemical bond was developed, which applies concepts of quantum information theory for the characterization of chemical bonds, based on the multiorbital correlations within the molecule. Here for the first time, we extend the use of this mathematical toolbox for the description of electron-deficient bonds. We start by verifying the theory on the textbook example of a molecule with three-center two-electron bonds, namely the diborane(6). We then show that the correlation theory of the chemical bond is able to properly describe bonding situation in more exotic molecules which have been synthetized and characterized only recently, in particular the diborane molecule with four hydrogen atoms [diborane(4)] and neutral zerovalent s-block beryllium complex, whose surprising stability was attributed to a strong three-center two-electron $π$ bond stretching across the C-Be-C core. Our approach is of a high importance especially in the light of a constant chase after novel compounds with extraordinary properties where the bonding is expected to be unusual.
The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital correlations were treated only in terms of two-orbital correlations, although the structure of multiorbital correlations is far richer; and, in the case of bonds established by more than two electrons, multiorbital correlations represent a more natural point of view. Here, for the first time, we introduce the true multiorbital correlation theory, consisting of a framework for handling the structure of multiorbital correlations, a toolbox of true multiorbital correlation measures, and the formulation of the multiorbital correlation clustering, together with an algorithm for obtaining that. These make it possible to characterise quantitatively, how well a bonding picture describes the chemical system. As proof of concept, we apply the theory for the investigation of the bond structures of several molecules. We show that the non-existence of well-defined multiorbital correlation clustering provides a reason for debated bonding picture.
The treatment of high-dimensional problems such as the Schrödinger equation can be approached by concepts of tensor product approximation. We present general techniques that can be used for the treatment of high-dimensional optimization tasks and time-dependent equations, and connect them to concepts already used in many-body quantum physics. Based on achievements from the past decade, entanglement-based methods, -- developed from different perspectives for different purposes in distinct communities already matured to provide a variety of tools -- can be combined to attack highly challenging problems in quantum chemistry. The aim of the present paper is to give a pedagogical introduction to the theoretical background of this novel field and demonstrate the underlying benefits through numerical applications on a text book example. Among the various optimization tasks we will discuss only those which are connected to a controlled manipulation of the entanglement which is in fact the key ingredient of the methods considered in the paper. The selected topics will be covered according to a series of lectures given on the topic "New wavefunction methods and entanglement optimizations in quantum chemistry" at the Workshop on Theoretical Chemistry, 18 - 21 February 2014, Mariapfarr, Austria.
We present the Copupled Cluster (CC) method and the Density matrix Renormalization Grooup (DMRG) method in a unified way, from the perspective of recent developments in tensor product approximation. We present an introduction into recently developed hierarchical tensor representations, in particular tensor trains which are matrix product states in physics language. The discrete equations of full CI approximation applied to the electronic Schrödinger equation is casted into a tensorial framework in form of the second quantization. A further approximation is performed afterwards by tensor approximation within a hierarchical format or equivalently a tree tensor network. We establish the (differential) geometry of low rank hierarchical tensors and apply the Driac Frenkel principle to reduce the original high-dimensional problem to low dimensions. The DMRG algorithm is established as an optimization method in this format with alternating directional search. We briefly introduce the CC method and refer to our theoretical results. We compare this approach in the present discrete formulation with the CC method and its underlying exponential parametrization.
In the past decades, quantum entanglement has been recognized to be the basic resource in quantum information theory. A fundamental need is then the understanding its qualification and its quantification: Is the quantum state entangled, and if it is, then how much entanglement is carried by that? These questions introduce the topics of separability criteria and entanglement measures, both of which are based on the issue of classification of multipartite entanglement. In this dissertation, after reviewing these three fundamental topics for finite dimensional Hilbert spaces, I present my contribution to knowledge. My main result is the elaboration of the partial separability classification of mixed states of quantum systems composed of arbitrary number of subsystems of Hilbert spaces of arbitrary dimensions. This problem is simple for pure states, however, for mixed states it has not been considered in full detail yet. I give not only the classification but also necessary and sufficient criteria for the classes, which make it possible to determine to which class a mixed state belongs. Moreover, these criteria are given by the vanishing of quantities measuring entanglement. Apart from these, I present some side results related to the entanglement of mixed states. These results are obtained in the learning phase of my studies and give some illustrations and examples.
We extend the classification of mixed states of quantum systems composed of arbitrary number of subsystems of arbitrary dimensions. This extended classification is complete in the sense of partial separability and gives 1+18+1 partial separability classes in the tripartite case contrary to a former 1+8+1. Then we give necessary and sufficient criteria for these classes, which make it possible to determine to which class a mixed state belongs. These criteria are given by convex roof extensions of functions defined on pure states. In the special case of three-qubit systems, we define a different set of such functions with the help of the Freudenthal triple system approach of three-qubit entanglement.