Luttinger liquids with boundaries: Power-laws and energy scales

We present a study of the one-particle spectral properties for a variety of models of Luttinger liquids with open boundaries. We first consider the Tomonaga-Luttinger model using bosonization. For weak interactions the boundary exponent of the power-law suppression of the spectral weight close to the chemical potential is dominated by a term linear in the interaction. This motivates us to study the spectral properties also within the Hartree-Fock approximation. It already gives power-law behavior and qualitative agreement with the exact spectral function. For the lattice model of spinless fermions and the Hubbard model we present numerically exact results obtained using the density-matrix renormalization-group algorithm. We show that many aspects of the behavior of the spectral function close to the boundary can again be understood within the Hartree-Fock approximation. For the repulsive Hubbard model with interaction U the spectral weight is enhanced in a large energy range around the chemical potential. At smaller energies a power-law suppression, as predicted by bosonization, sets in. We present an analytical discussion of the crossover and show that for small U it occurs at energies exponentially (in -1/U) close to the chemical potential, i.e. that bosonization only holds on exponentially small energy scales. We show that such a crossover can also be found in other models.Comment: 16 pages, 9 figures included, submitted for publicatio

Resonant electronic Raman scattering near a quantum critical point

We calculate the resonant electronic Raman scattering for the Falicov-Kimball model near the Mott transition on a hypercubic lattice. The solution is exact, and employs dynamical mean field theory.Comment: 2 pages, 2 figures, contribution to the SCES04 conferenc

Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo

Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wavefunctions both, in variational and in fixed-node diffusion Monte Carlo.Comment: 9 pages RevTeX with 10 eps figure

Resonant Enhancement of Electronic Raman Scattering

We present an exact solution for electronic Raman scattering in a single-band, strongly correlated material, including nonresonant, resonant and mixed contributions. Results are derived for the spinless Falicov-Kimball model, employing dynamical mean field theory; this system can be tuned through a Mott metal-insulator transition.Comment: 4 pages, 3 figures, contribution to the SNS'2004 conferenc

Generalized Numerical Renormalization Group for Dynamical Quantities

In this paper we introduce a new approach for calculating dynamical properties within the numerical renormalization group. It is demonstrated that the method previously used fails for the Anderson impurity in a magnetic field due to the absence of energy scale separation. The problem is solved by evaluating the Green function with respect to the reduced density matrix of the full system, leading to accurate spectra in agreement with the static magnetization. The new procedure (denoted as DM-NRG) provides a unifying framework for calculating dynamics at any temperature and represents the correct extension of Wilson's original thermodynamic calculation.Comment: 4 pages RevTeX, 6 eps figures include

Spatial Correlations in Dynamical Mean Field Theory

We further develop an extended dynamical mean field approach introduced earlier. It goes beyond the standard $D=\infty$ dynamical mean field theory by incorporating quantum fluctuations associated with intersite (RKKY-like) interactions. This is achieved by scaling the intersite interactions to the same power in 1/D as that for the kinetic terms. In this approach, a correlated lattice problem is reduced to a single-impurity Anderson model with additional self-consistent bosonic baths. Here, we formulate the approach in terms of perturbation expansions. We show that the two-particle vertex functions are momentum-dependent, while the single-particle self-energy remains local. In spite of this, the approach is conserving. Finally, we also determine the form of a momentum-dependent dynamical susceptibility; the resulting expression relates it to the corresponding Weiss field, local correlation function and (momentum-dependent) intersite coupling.Comment: 28 pages, REVTEX, 8 figures include

Asymptotically exact mean field theory for the Anderson model including double occupancy

The Anderson impurity model for finite values of the Coulomb repulsion $U$ is studied using a slave boson representation for the empty and doubly occupied $f$-level. In order to avoid well known problems with a naive mean field theory for the boson fields, we use the coherent state path integral representation to first integrate out the double occupancy slave bosons. The resulting effective action is linearized using {\bf two-time} auxiliary fields. After integration over the fermionic degrees of freedom one obtains an effective action suitable for a $1/N_f$-expansion. Concerning the constraint the same problem remains as in the infinite $U$ case. For $T \rightarrow 0$ and $N_f \rightarrow \infty$ exact results for the ground state properties are recovered in the saddle point approximation. Numerical solutions of the saddle point equations show that even in the spindegenerate case $N_f = 2$ the results are quite good.Comment: 19, RevTeX, cond-mat/930502

Boundary effects on one-particle spectra of Luttinger liquids

We calculate one-particle spectra for a variety of models of Luttinger liquids with open boundary conditions. For the repulsive Hubbard model the spectral weight close to the boundary is enhanced in a large energy range around the chemical potential. A power law suppression, previously predicted by bosonization, only occurs after a crossover at energies very close to the chemical potential. Our comparison with exact spectra shows that the effects of boundaries can partly be understood within the Hartree-Fock approximation.Comment: 4 pages including 4 figures, revised version, to be published in Phys. Rev. B, January 200

Strong-Coupling Expansion for the Hubbard Model

A strong-coupling expansion for models of correlated electrons in any dimension is presented. The method is applied to the Hubbard model in $d$ dimensions and compared with numerical results in $d=1$. Third order expansion of the Green function suffices to exhibit both the Mott metal-insulator transition and a low-temperature regime where antiferromagnetic correlations are strong. It is predicted that some of the weak photoemission signals observed in one-dimensional systems such as $SrCuO_2$ should become stronger as temperature increases away from the spin-charge separated state.Comment: 4 pages, RevTex, 3 epsf figures include

Dynamics of disordered heavy Fermion systems

Dynamics of the disordered heavy Fermion model of Dobrosavljevic et al. are calculated using an expression for the spectral function of the Anderson model which is consistent with quantum Monte Carlo results. We compute the self-energy for three distributions of Kondo scales including the distribution of Bernal et al. for UCu{5-x}Pd{x}. The corresponding low temperature optical conductivity shows a low-frequency pseudogap, a negative optical mass enhancement, and a linear in frequency transport scattering rate, consistent with results in Y{1-x}U{x}Pd{3} and UCu{5-x}Pd{x}.Comment: 5 pages, LaTeX and 4 PS figure