Dynamical Properties using the DMRG

Haibo Ma, Ulrich Schollwöck, Zhigang Shuai

Till D. Kühner, Steven R. White

The density matrix renormalization group (DMRG) method allows for very precise calculations of ground state properties in low-dimensional strongly correlated systems. We investigate two methods to expand the DMRG to calculations of dynamical properties. In the Lanczos vector method the DMRG basis is optimized to represent Lanczos vectors, which are then used to calculate the spectra. This method is fast and relatively easy to implement, but the accuracy at higher frequencies is limited. Alternatively, one can optimize the basis to represent a correction vector for a particular frequency. The correction vectors can be used to calculate the dynamical correlation functions at these frequencies with high accuracy. By separately calculating correction vectors at different frequencies, the dynamical correlation functions can be interpolated and pieced together from these results. For systems with open boundaries we discuss how to construct operators for specific wave vectors using filter functions.

K. Hallberg

K. Hallberg

Since its inception, the DMRG method has been a very powerful tool for the calculation of physical properties of low-dimensional strongly correlated systems. It has been adapted to obtain dynamical properties and to consider finite temperature, time-dependent problems, bosonic degrees of freedom, the treatment of classical problems and non-equilibrium systems, among others. We will briefly review the method and then concentrate on its latest developments, describing some recent successful applications. In particular we will show how the dynamical DMRG can be used together with the Dynamical Mean Field Theory (DMFT) to solve the associated impurity problem in the infinite-dimensional Hubbard model. This method is used to obtain spectral properties of strongly correlated systems. With this algorithm, more complex problems having a larger number of degrees of freedom can be considered and finite-size effects can be minimized.

K. Hallberg

(April 2006) The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and thermodynamic properties. Its field of applicability has now extended beyond Condensed Matter, and is successfully used in Quantum Chemistry, Statistical Mechanics, Quantum Information Theory, Nuclear and High Energy Physics as well. In this article, we briefly review the main aspects of the method and present some of the most relevant applications so as to give an overview on the scope and possibilities of DMRG. We focus on the most important extensions of the method such as the calculation of dynamical properties, the application to classical systems, finite temperature simulations, phonons and disorder, field theory, time-dependent properties and the ab initio calculation of electronic states in molecules. The recent quantum information interpretation, the development of highly accurate time-dependent algorithms and the possibility of using the DMRG as the impurity-solver of the Dynamical Mean Field Method (DMFT) give new insights into its present and potential uses. We review the numerous very recent applications of these techniques where the DMRG has shown to be one of the most reliable and

Xiaoqun Wang, K. Hallberg, Félix Naef