1. Laws of thermodynamics 2. Thermodynamic relations 3. The ensemble theory 4. System Hamiltonians 5. The density matrix 6. The cluster variation method 7. Infinite series representations of correlation functions 8. The extended mean-field approximation 9. The exact Ising lattice identities 10. Propagation of short range order 11. Phase transition of the two-dimensional Ising model Appendix 1. The gamma function Appendix 2. The critical exponent in the tetrahedron approximation Appendix 3. Programming organization of the cluster variation method Appendix 4. A unitary transformation applied to the Hubbard Hamiltonian Appendix 5. Exact Ising identities on the diamond lattice References Subject index.
Laws of thermodynamics 2. Thermodynamic relations 3. The ensemble theory 4. System Hamiltonians 5. The density matrix 6. The cluster variation method 7. Infinite series representations of correlation functions 8. The extended mean-field approximation 9. The exact Ising lattice identities 10. Propagation of short range order 11. Phase transition of the two-dimensional Ising model Appendix 1. The gamma function Appendix 2. The critical exponent in the tetrahedron approximation Appendix 3. Programming organization of the cluster variation method Appendix 4. A unitary transformation applied to the Hubbard Hamiltonian Appendix 5. Exact Ising identities on the diamond lattice References Subject index.
These lectures describe the physics of phase transitions and critical phenomena. After introducing the thermodynamics of phase transitions, these general considerations are made explicit by presenting statistical mechanical calculations on a lattice gas model in the mean-field approximation. Then the Landau theory of phase transitions is presented. The form of free energy in the Landau theory is motivated by an explicit mean field calculation for the Ising model. This is followed by a discussion of spatial correlations and the breakdown of the mean field theory due to increase of spatial fluctuations near the critical point. This calculation also brings out the role of dimension of the system for the critical behaviour. The basic ideas of Renormalization Group (RG) are then introduced and illustrated by a simple RG calculation for the one-dimensional Ising model. Real-space RG calculations are then applied to the two-dimensional Ising model on the triangular lattice, which, in fact, brings forth several key features of the RG technique. A discussion of more general aspects of the RG formalism, such as scaling for spatial correlation functions, relevant and irrelevant couplings, universality, upper critical dimension, etc. are introduced.
In this Thesis, we develop and apply an accurate method to determine the ground-state properties of strongly-correlated electrons in the framework of lattice model Hamiltonians. In lattice density-functional theory (LDFT) the basic variable is the one-particle density matrix γ. From a generalized HK theorem, the ground state energy Egs[γgs] = minγ E[γ] is obtained by minimizing the energy-functional E[γ] over all the physical or representable γ. The energy functional can be divided into two contributions: the kinetic-energy functional T [γ], which linear dependence on γ is exactly known, and the correlation-energy functional W [γ], which dependence on γ is not explicitly known. Finding accurate approximations for W [γ] constitutes the actual challenge of this thesis. Part of this work is based on previous studies which derive an approximation of W [γ] for the Hubbard Hamiltonian based on scaling hypothesis and an exact analytical results for the Hubbard dimer. However, this approach is limited to spin independent and homogeneous systems. In order to extend the scope of LDFT, we have developed three different approaches to derive W [γ] in order to study broken symmetry problems. First we extend the previous scaling functional to system having charge transfer. By a systematic study of the dependence of W [γ] on the charge distribution we find similar scaling properties as for the homogeneous case. An extension to the Hubbard model on bipartite lattices is then derived and applied to finite and infinite systems with repulsive and attractive interactions. The high accuracy of this functional is demonstrated. Nevertheless, this approach is difficult to transfer to more complex systems, since the calculation of W [γ] applies to the system as a whole. To overcome this problem, we derive another approximation based on local scaling properties. This functional is formulated on-site so that it can be applied to any ordered or disordered Hamiltonian with on-site interaction. As applications we study the metal-insulator transition in the ionic Hubbard model in oneand two-dimensions, as well as the one-dimensional Hubbard chain with first and second nearest neighbor hoppings. Finally, we develop a numerical approach of W [γ], on the basis on exact diagonalizations of an effective many-body Hamiltonian corresponding to a cluster surrounded by an effective medium. This effective Hamiltonian depends on the density matrix γ and allows to derive approximation to W [γ] which improve systematically with increasing cluster size. The formulation is spin-dependent and allows a straightforward generalization to multi-orbital correlated systems such spd-Hamiltonians. In addition it take into account the effects of short-range charge and spin fluctuations in the functional. The accuracy of the method is demonstrated for the Hubbard model by comparison with the Bethe-Ansatz solution (1D) and quantum Monte Carlo simulations (2D). Finally, an outlook or relevant future developments of the theory is provided.
Fundamentals of statistical physics: the lectures - a survey one particle and many Gaussian distributions quantum mechanics and lattices. Random dynamics: diffusion and hopping from hops to statistical mechanics correlations and response. More statistical mechanics: statistical thermodynamics Fermi, Bose, and other. Phase transitions: overview of phase transitions mean field theory of critical behaviour continuous phase transitions renormalization in one dimension real space renormalization techniques duality planar model and Coulomb systems XY model, renormalization and duality.
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half-filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalization of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions $U\ensuremath{\geqslant}3t$. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.
Dynamical quantum-cluster approaches, such as different cluster extensions of the dynamical mean-field theory (cluster DMFT) or the variational cluster approximation (VCA), combined with efficient cluster solvers, such as the quantum Monte Carlo (QMC) method, provide controlled approximations of the single-particle Green's function for lattice models of strongly correlated electrons. To access the thermodynamics, however, a thermodynamical potential is needed. We present an efficient numerical algorithm to compute the grand potential within cluster-embedding approaches that are based on novel continuous-time QMC schemes. It is shown that the numerically exact cluster grand potential can be obtained from a quantum Wang-Landau technique to reweight the coefficients in the expansion of the partition function. The lattice contributions to the grand potential are computed by a proper infinite summation over Matsubara frequencies. A proof of principle is given by applying the VCA to antiferromagnetic (short-range) order in the two-dimensional Hubbard model at finite temperatures.