Recently the Many-Interacting-Worlds (MIW) approach to a quantum theory without wave functions was proposed. This approach leads quite naturally to numerical integrators of the Schrödinger equation. It has been suggested that such integrators may feature advantages over fixed-grid methods for higher numbers of degrees of freedom. However, as yet, little is known about concrete MIW models for more than one spatial dimension and/or more than one particle. In this work we develop the MIW approach further to treat arbitrary degrees of freedom, and provide a systematic study of a corresponding numerical implementation for computing one-particle ground and excited states in one dimension, and ground states in two spatial dimensions. With this step towards the treatment of higher degrees of freedom we hope to stimulate their further study.
Recently the Many-Interacting-Worlds (MIW) approach to a quantum theory without wave functions was proposed. This approach leads quite naturally to numerical integrators of the Schrödinger equation. It has been suggested that such integrators may feature advantages over fixed-grid methods for higher numbers of degrees of freedom. However, as yet, little is known about concrete MIW models for more than one spatial dimension and/or more than one particle. In this work we develop the MIW approach further to treat arbitrary degrees of freedom, and provide a systematic study of a corresponding numerical implementation for computing one-particle ground and excited states in one dimension, and ground states in two spatial dimensions. With this step towards the treatment of higher degrees of freedom we hope to stimulate their further study.
Recently the Many-Interacting-Worlds (MIW) approach to a quantum theory without wave functions was proposed. This approach leads quite naturally to numerical integrators of the Schr\odinger equation. It has been suggested that such integrators may feature advantages over fixed-grid methods for higher numbers of degrees of freedom. However, as yet, little is known about concrete MIW models for more than one spatial dimension and/or more than one particle. In this work we develop the MIW approach further to treat arbitrary degrees of freedom, and provide a systematic study of a corresponding numerical implementation for computing one-particle ground and excited states in one dimension, and ground states in two spatial dimensions. With this step towards the treatment of higher degrees of freedom we hope to stimulate their further study.
In the “Many Interacting Worlds” (MIW) discrete Hamiltonian system approximation of Schrödinger’s wave equation, introduced in Ref. 11, convergence of ground states to the Normal ground state of the quantum harmonic oscillator, via Stein’s method, in Wasserstein-[Formula: see text] distance with rate [Formula: see text] has been shown Refs. 5, 13, and 15. In this context, we construct approximate higher energy states of the MIW system, and show their convergence with the same rate in Wasserstein-[Formula: see text] distance to higher energy states of the quantum harmonic oscillator. In terms of techniques, we apply the “differential equation” approach to Stein’s method, which allows to handle behavior near zeros of the higher energy states.
Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation.Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated.Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance.It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood.Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods.Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).
Quantum many-body physics has been studied for many decades. A lot of intriguing phenomena have been observed and theories have been developed. Yet many problems remain unsolved, which is largely due to a lack of general efficient classical computation method. One-dimensional (1D) systems have also drawn much attention over the past few decades. One reason is that many unique strongly correlated quantum phenomena only appear in low dimensions. Another reason is that many exact results can be obtained in 1D for cross benchmarking, such as Bethe Ansatz, Bosonization, Bose-Fermi mapping, etc. In addition, many numerical methods, such as Matrix-Product-State based and Monte Carlo methods, work most efficiently in 1D. In recent years, 1D quantum gases have been realized in many cold atom labs, providing experimental motivation for their studies. One of the most mysterious assumptions about a system of identical quantum particles is that the wavefunction must be symmetric (for bosons) or anti-symmetric (for fermions). This means that no two fermions can occupy the same state, while multiple occupancy is allowed for bosons. Bosons and fermions are therefore generally very different. But in 1D this distinction could become rather subtle, provided that the bosonic multiple occupancy is suppressed, which can happen if strong repulsion exists between them. However, when considering spin degrees of freedom, things become more complicated. In this work, we develop a generalized Bose-Fermi mapping theory, under which, the charge degrees of freedom is mapped to a spinless fermions, while the spin degrees of freedom to an effective spin chain. This mapping works for arbitrary spin, arbitrary trapping potentials, arbitrary spin-dependent interaction potential, and for either spinor bosons or fermions. In the strong interaction limit, the wavefunction of the system is represented by the strong coupling ansatz wavefunction (SCAW), which takes the form of a direct product of spinless fermions wavefunction and spin wavefunction. Using this mapping technique, we study the dynamics and collective modes of the system. Furthermore, we develop a very efficient method to calculate the one-body density matrix, from which we can calculate the momentum distribution of the system.
The Schrödinger equation is nearly a century old, yet we are still in the midst of uncovering the remarkable phenomena emerging in many-body quantum systems. From superconductivity to anyonic quasiparticles, nature consistently surprises with its rich self-organization. To elucidate and grasp this variety, it is paramount to understand the phases of matter that can occur in many-body ground states, as well as their emergent collective excitations. Of particular interest are topological phases of matter, characterized by exotic excitations or edge phenomena. There exist by now several universal frameworks for gapped systems, i.e., those with an energy gap above the ground state. However, in the last decade, a multitude of gapless quantum wires---effectively one-dimensional systems---have been reported to be topologically non-trivial. A framework for their understanding and classification is missing. In addition to ground state order---topological or otherwise---a more complete picture involves the properties of excitations above the ground state. Alas, little is known about excitations beyond the universal low-energy regime. In part, this is due to a lack of analytical and numerical methods able to describe excitations at finite energies, especially in strongly-interacting systems beyond one dimension. In this thesis, we address these issues: firstly, we build a general understanding of topological phases in one dimension, including both gapped and gapless cases. In particular, we unify previously studied examples into a single framework. Secondly, we develop a novel numerical method for obtaining spectral functions in two dimensions---these give direct insight into the properties of excitations and are moreover experimentally measurable. Using this numerical method, we uncover a variety of robust properties of excitations at finite energies. Part I of this thesis concerns gapped and gapless topological phases in one dimension. In Chapter 2, we first treat the case of non-interacting fermions. Therein, we review the known classification of gapped phases before extending it to the gapless case, showing that exponentially-localized Majorana zero modes can still emerge at the edge when the bulk is gapless. Interacting gapped phases are discussed in Chapter 3, with a focus on symmetry-protected topological order. These have already been classified; our contribution is to provide a non-technical review of this classification as well as showing that many paradigmatic model Hamiltonians can be related to one another. Finally, Chapter 4 introduces the notion of symmetry-enriched quantum criticality, which we propose as a framework for classifying gapless phases. The key message is that in the presence of symmetries, a universality class can divide into distinct phases, characterized by the symmetry action on the low-energy scaling operators. This includes gapless topological phases, with examples hiding in plain sight; we clarify their stability and reinterpret previously studied examples. Part II studies the excitations above the ground states of two-dimensional quantum spin models. The main object of our study is the dynamic spin structure factor; this type of spectral function is reviewed in the first part of Chapter 5. The second part of this chapter introduces a novel matrix-product-state-based algorithm to efficiently compute it, opening a new window on the dynamics of two-dimensional quantum systems. We benchmark this numerical method in Chapter 6 on the exactly-solvable Kitaev model---a paradigmatic topological model realizing a quantum spin liquid. By adding non-integrable Heisenberg perturbations, we identify the first unequivocal theoretical realization of a proximate spin liquid: the ground state becomes conventionally ordered, yet the high-energy spectral properties are structurally similar to those of the nearby Kitaev spin liquid. The latter agrees with aspects of recent inelastic neutron scattering experiments on alpha-RuCl3. In Chapter 7, we turn to one of the oldest models in many-body quantum physics: the spin-1/2 Heisenberg antiferromagnet on the square lattice. Despite its venerable history, there is still disagreement about the physical origin of high-energy spectral features which low-order spin wave theory cannot account for. We provide a simple picture for this strongly-interacting-magnon feature by connecting it to a simple Ising limit. Lastly, Chapter 8 discusses the stability of quasiparticles---collective excitations behaving like a single emergent entity, of which magnons are a prime example. These are often known to be stable at the lowest energies and are presumed to decay whenever this is seemingly allowed by energy and momentum conservation. However, we show that strong interactions can prevent this from happening. We numerically confirm this principle of avoided decay in the (slightly-detuned) Heisenberg antiferromagnet on the triangular lattice. Moreover, we can even identify its fingerprints in existing experimental data on Ba3CoSb2O9 and superfluid helium. In this thesis, we thus enlarge our understanding of quantum phases and their excitations. The identification of the key principles of gapless topological phases in one dimension calls for direct analogues in higher dimensions, waiting to be uncovered. With regard to the robust properties of the excitations identified in this thesis, we are hopeful that these can be extended into a theory of quasiparticle properties away from the universal low-energy regime.
While historically many quantum-mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a great deal of interest has arisen in quantum effects in nuclear dynamics as well. Due to the computational difficulty of solving the Schrödinger equation in full, these effects are often treated with approximate methods. In this paper, we present an algorithm to tackle these problems using an extension to the many-interacting-worlds approach to quantum mechanics. This technique uses a kernel function to rebuild the probability density, and therefore, in contrast with the approximation presented in the original paper, it can be naturally extended to n-dimensional systems. This opens up the possibility of performing quantum ground-state searches with steepest-descent methods, and it could potentially lead to real-time quantum molecular-dynamics simulations. The behavior of the algorithm is studied in different potentials and numbers of dimensions and compared both to the original approach and to exact Schrödinger equation solutions whenever possible.