Related papers: Mapping the metal-insulator phase diagram by algeb…
Near-term quantum processors are limited in terms of the number of qubits and gates they can afford. They nevertheless give unprecedented access to programmable quantum systems that can efficiently, although imperfectly, simulate quantum…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…
The Suzuki-Trotter decomposition, which digitalizes quantum time evolution, provides a promising framework for simulating quantum dynamics on quantum hardware and exploring quantum advantage over classical computation. However, conventional…
We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity…
In the realm of quantum chemistry, the accurate prediction of electronic structure and properties of nanostructures remains a formidable challenge. Density Functional Theory (DFT) and Density Matrix Renormalization Group (DMRG) have emerged…
Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime,…
The metal-insulator transition (MIT) in paramagnetic VO2 is studied within LDA+DMFT(IPT), which merges the local density approximation (LDA) with dynamical mean field theory (DMFT). With a fixed value of the Coulomb U=5.0eV, we show how the…
We explore the phase diagram of the Mott metal-insulator transition (MIT), focusing on the effects of particle-hole asymmetry (PHA) in the single-band Hubbard model. Our dynamical mean-field theory (DMFT) study reveals that the introduction…
A few years ago, a topological quantum phase transition (TQPT) has been found in Anderson and Kondo 2-channel spin-1 impurity models that include a hard-axis anisotropy term $DS_z^2$ with $D > 0$. The most remarkable manifestation of the…
We study the Mott metal-insulator transition in the Periodic Anderson Model within Dynamical Mean Field Theory (DMFT). Near the quantum transition, we find a non-Fermi liquid metallic state down to a vanishing temperature scale. We identify…
We consider a quantum impurity model in which a bosonic impurity level is coupled to a non-interacting bosonic bath, with the bosons at the impurity site subject to a local Coulomb repulsion U. Numerical renormalization group calculations…
We apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model…
We propose an algorithm to obtain Green's functions as a continued fraction on quantum computers, which is based on the construction of the Krylov basis using variational quantum algorithms, and included in a Lanczos iterative scheme. This…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the…
This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…
We assess the reliability of the one-crossing approximation (OCA) approach in quantitative description of the Mott transition in the framework of the dynamical mean field theory (DMFT). The OCA approach has been applied in the conjunction…
We show how to use diagrammatic techniques to compute the weak-coupling perturbation series of the self-consistent solution to a Dynamical Mean Field Theory (DMFT) problem. This approach constitutes an alternative to using diagrammatic…
We expose the relevance of double occupancy conservation symmetry in application of the Hubbard-I approach to strongly correlated electron systems. We propose the utility of a composite method, viz. the Hubbard-I method in conjunction with…
Strong repulsive interactions between electrons can lead to a Mott metal-insulator transition. The Dynamical Mean-Field Theory (DMFT) explains the critical end-point and hysteresis region with single-particle concepts such as the spectral…