We present a method for the simultaneous implementation of the spin symmetry, the pseudospin symmetry and the translational invariance in models for correlated electron systems on finite-size clusters. The application of this method leads to a significative reduction of the size of the Hamiltonian matrix blocks, thus considerably simplifying the diagonalization procedure. We illustrate the method solving exactly the Hubbard model on a 8-site chain in the Hilbert subspaces labelled by the eigenvalues of the spin, the pseudospin and the momentum operators. Some relevant thermodynamical quantities, such as the specific heat and the static magnetic susceptibility, are then evaluated and a brief discussion on the tendency of the model to exhibit ferromagnetism is also presented.
We present a method for the simultaneous implementation of the spin symmetry, the pseudospin symmetry and the translational invariance in models for correlated electron systems on finite-size clusters. The application of this method leads to a significative reduction of the size of the Hamiltonian matrix blocks, thus considerably simplifying the diagonalization procedure. We illustrate the method solving exactly the Hubbard model on a 8-site chain in the Hilbert subspaces labelled by the eigenvalues of the spin, the pseudospin and the momentum operators. Some relevant thermodynamical quantities, such as the specific heat and the static magnetic susceptibility, are then evaluated and a brief discussion on the tendency of the model to exhibit ferromagnetism is also presented.
We present a method to compute eigenstates and eigenvalues of strongly correlated models on clusters. The calculation is performed applying the SU(2) symmetry, which allows a considerable reduction of the dimension of Hilbert space of the system. We illustrate the method classifying the states of the four-sites Hubbard model on a chain. This classification has been made using also the translational symmetry and the S\ifmmode \tilde{}\else \~{}\fi{}\ifmmode \tilde{U}\else \~{U}\fi{}(2) pseudospin symmetry. \textcopyright{} 1996 The American Physical Society.
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.
Abstract We discuss the one-dimensional Hubbard model, on finite sites spin chain, in context of the action of the direct product of two unitary groups SU(2)×SU(2). The symmetry revealed by this group is applicable in the procedure of exact diagonalization of the Hubbard Hamiltonian. This result combined with the translational symmetry, given as the basis of wavelets of the appropriate Fourier transforms, provides, besides the energy, additional conserved quantities, which are presented in the case of a half-filled, four sites spin chain. Since we are dealing with four elementary excitations, two quasiparticles called “spinons”, which carry spin, and two other called “holon” and “antyholon”, which carry charge, the usual spin-SU(2) algebra for spinons and the so called pseudospin-SU(2) algebra for holons and antiholons, provide four additional quantum numbers.
One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non-Abelian point group. Here, we present a general technique which can utilize all the symmetries of an electronic (magnetic) Hamiltonian to obtain its full eigenvalue spectrum. This is a hybrid method based on Valence Bond basis and the basis of constant z-component of the total spin. This technique is applicable to systems with any point group symmetry and is easy to implement on a computer. We illustrate the power of the method by applying it to a model icosahedral half-filled electronic system. This model spans a huge Hilbert space (dimension 1,778,966) and in the largest non-Abelian point group. The C60 molecule has this symmetry and hence our calculation throw light on the higher energy excited states of the bucky ball. This method can also be utilized to study finite temperature properties of strongly correlated systems within an exact diagonalization approach. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Exact diagonalization and other numerical studies of quantum spin systems are notoriously limited by the exponential growth of the Hilbert space dimension with system size. A common and well-known practice to reduce this increasing computational effort is to take advantage of the translational symmetry CN in periodic systems. This represents a rather simple yet elegant application of the group theoretical symmetry projection operator technique. For isotropic exchange interactions, the spin-rotational symmetry SU(2) can be used, where the Hamiltonian matrix is block structured according to the total spin and magnetization quantum numbers. Rewriting the Heisenberg Hamiltonian in terms of irreducible tensor operators allows for an efficient and highly parallelizable implementation to calculate its matrix elements recursively in the spin-coupling basis. When combining both CN and SU(2), mathematically, the symmetry projection technique leads to ready-to-use formulas. However, the evaluation of these formulas is very demanding in both computation time and memory consumption, problems which are said to outweigh the benefits of the symmetry-reduced matrix shape. We show a way to minimize the computational effort for selected systems and present the largest numerically accessible cases.