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Journal of Mathematical Physics

Reduction of the Hilbert space in strongly correlated systems

Myung-Hoon Chung, Jae-Hoon Kwon

Published Sep 26, 2002• 0 citations
Publisher

Abstract

Defining commutation relations between symmetry operators and fundamental operators, we set up the symmetry group for a many-particle Hamiltonian. Using the irreducible representations of the symmetry group, we decompose the Hilbert space. We discuss the advantage of this approach to find the dimensions of reduced Hilbert spaces in numerical exact diagonalization.

DOI
10.1063/1.1506956

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Defining commutation relations between symmetry operators and fundamental operators, we set up the symmetry group for a many-particle Hamiltonian. Using the irreducible representations of the symmetry group, we decompose the Hilbert space. We discuss the advantage of this approach to find the dimensions of reduced Hilbert spaces in numerical exact diagonalization.
The idea that symmetries simplify or reduce the complexity of a system has been remarkably fruitful in physics, and especially in quantum mechanics. On a mathematical level, symmetry groups single out a certain structure in the Hilbert space that leads to a reduction. This structure is given by the irreducible representations of the group, and in general it can be identified with an operator algebra (a.k.a. C*-algebra or von Neumann algebra). The primary focus of this thesis is the extension of the framework of reductions from symmetries to operator algebras, and its applications in finite-dimensional quantum mechanics. Finding the irreducible representations structure is the principal problem when working with operator algebras. We will therefore review the representation theory of finite-dimensional operator algebras and elucidate this problem with the help of two novel concepts: minimal isometries and bipartition tables. One of the main technical results that we present is the Scattering Algorithm for analytical derivations of the irreducible representations structure of operator algebras. For applications, we will introduce a symmetry-agnostic approach to the reduction of dynamics where we circumvent the non-trivial task of identifying symmetries, and directly reduce the dynamics generated by a Hamiltonian. We will also consider quantum state reductions that arise from operational constraints, such as the partial trace or the twirl map, and study how operational constraints lead to decoherence. Apart from that, we will extend the idea of reduction beyond operator algebras to operator systems, and formulate a quantum notion of coarse-graining that so far only existed in classical probability theory. We will also characterize how the uncertainty principle transitions to the classical regime under coarse-grained measurements and discuss the implications in a finite-dimensional setting.
Symmetries impose structure on the Hilbert space of a quantum mechanical model. The mathematical units of this structure are the irreducible representations of symmetry groups and I consider how they function as conceptual units of interpretation. For models with symmetry, the properties of irreducible representations constrain the possibilities of Hilbert space arithmetic, i.e.\ how a Hilbert space can be decomposed into sums of subspaces and factored into products of subspaces. Partitioning the Hilbert space is equivalent to parsing the system into subsystems, and these emergent subsystems provide insight into the kinematics, dynamics, and informatics of a quantum model. This article provides examples of how complex models can be built up from irreducible representations that correspond to `natural' ontological units like spins and particles. It also gives examples of the reverse process in which complex models are partitioned into subsystems that are selected by the representations of the symmetries and require no underlying ontological commitments. These techniques are applied to a few-body model in one-dimension with a Hamiltonian depending on an interaction strength parameter. As this parameter is tuned, the Hamiltonian runs dynamical spectrum from integrable to chaotic, and the subsystems relevant for analyzing and interpreting the dynamics shift accordingly.
We present two methods to study model Hamiltonians defined on clusters. One is the symmetrization of the Hilbert space basis according to irreducible representations of the symmetry group of the Hamiltonian. The other one adapts the Lanczos diagonalization method directly to the second quantized form of the Hamiltonian studied. By the symmetrization of the basis, one takes advantage of the symmetries of the Hamiltonian, and uses the group theory to find the invariant subspaces of the Hamiltonian in the complete Hilbert space. Then one needs only to work within the invariant subspaces. This method cuts down substantially the size of the matrix representation of the Hamiltonian to be diagonalized. Therefore, one could study relatively larger systems. As a result, all the eigenvectors and eigenvalues are obtained. Consequently, one could calculate thermodynamical quantities and various correlation functions, such as, the spin correlation, the charge correlation, the superconductivity pairing correlation, and the photoemission spectra. One the other hand, the Lanczos method, mentioned here in particular, is a specially developed computer program for the study of the model Hamiltonians. This program uses the key feature of the Lanczos method in diagonalization, allows one to use the second quantized form of the Hamiltonian directly without pregeneration or storing the matrix elements of the Hamiltonian. Two methods could be combined to take the full advantage of the symmetries of the Hamiltonian by input of the symmetrized wavefunction as the starting trial wavefunction in the Lanczos method. Here we illustrate the above two methods by applying to the Hubbard, and extended Hubbard models on a simple cubic cluster, and the lattice Anderson model on the two dimensional square lattice. Other interesting results for different systems are also briefly discussed here.
The essence of quantum magnetism lies in correlated many-body states. They determine the physical properties beyond paramagnetism. Even constructions as simple as singlets or triplets cannot be understood without the mathematical concept of superpositions. This is even more evident if time evolution of quantum states and phenomena such as quantum coherenceQuantum coherence are considered. The major approach to assess correlated many-body states in quantum magnetism of molecules is exact diagonalizationDiagonalization of the many-body Hamiltonian describing the physical system. Symmetries are of great help when tackling the numerical task of matrix diagonalization since they allow to decompose a problem of large Hilbert spaceHilbert space dimension into a number of smaller problems. This approach will be presented first. It rests on the identification of the available symmetries—e.g., U(1), SU(2), as well as point groupsPoint group—and their application. However, the applicability of exact diagonalizationDiagonalization is limited by the exponential growth of the Hilbert spaceHilbert space of the spin system with the number of spins: $$\dim \left( {\mathcal{H}} \right) = \mathop \prod \nolimits_{i} \left( {2 s_{i} + 1} \right)$$ . Nowadays, complex Hermitian matricesHermitian matrices of a linear dimension of about 100,000 can be completely diagonalized on supercomputers which limits the number of spins depending on their size sis_{i}si​ to just a few. I will therefore present a very accurate approximation to exact diagonalization that rests on Lanczos procedures and the concept of typicality. The most popular version, the finite-temperature Lanczos methodFinite-Temperature Lanczos Method (FTLM), allows to evaluate low-energy spectroscopic data, thermal averages as well as time evolutions for systems with Hilbert space dimensions of up to about 1011. Hands-on experience and examples will be provided.
After the link ?R‖ψ (?r) 〉 = ‖ψ (r) 〉 between the real-space geometric operator ? and a uniquely associated new function-space operator ?R is established, the real-space development of Paper I is extended into function space. Several examples then illustrate the central theorem of group representation theory as used in quantum mechanics: for a given physical system, the energy eigenvectors {‖ψi(ν)(r) 〉} corresponding to the eigenvalue Eν constitute a subspace of Hilbert space invariant with respect to the system’s group of symmetry operators, and a set of basis vectors spanning that subspace can produce an irreducible representation of that group. Or, more simply, symmetry in real space determines symmetry in function space. And it is from and appreciation of the symmetry properties of states and operators in Hilbert space that the useful arguments of group representation theory flow.
A general treatment of the symmetry for quantum spin systems is presented with the use of permutational operators. Symmetry operations which are commutable with a Hamiltonian form the symmetry group. Complete sets of spin functions which are specified by the total spin ( S tot ) are projected onto the irreducible representations of the symmetry group, using the character table. We show from symmetry consideration that a minimum dimension exists for the ground state of the Heisenberg Hamiltonian with finite N spins. The diagonalization of the Hamiltonian with the use of symmetry consideration can be effectively performed for the complete sets of S tot =0 by the method proposed in this paper. Numerical results of the ground state and all the excited states of S tot =0 are presented for spin systems up to N =20.