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Generalized rules for building and flipping clusters in the quantum Monte Carlo loop algorithm are presented for the XXZ-model in a uniform magnetic field along the Z-axis. As is demonstrated for the Heisenberg antiferromagnet it is…
The Dynamical Cluster Approximation with Betts clusters is used to calculate the antiferromagnetic phase diagram of the 3D Hubbard model at half filling. Betts clusters are a set of periodic clusters which best reflect the properties of the…
The mixed spin-1 and spin-1/2 Heisenberg octahedral chain with regularly alternating monomeric spin-1 sites and square-plaquette spin-1/2 sites is investigated using variational technique, localized-magnon approach, exact diagonalization…
We review the application of lattice QCD techniques, most notably the Hybrid Monte-Carlo (HMC) simulations, to first-principle study of tight-binding models of crystalline solids with strong inter-electron interactions. After providing a…
Using examples of the square- and triangular-lattice Heisenberg models we demonstrate that the density matrix renormalization group method (DMRG) can be effectively used to study magnetic ordering in two-dimensional lattice spin models. We…
We propose a complete, quantitative quantum computing system which satisfies the five DiVincenzo criteria. The model is based on magnetic clusters with uniaxial anisotropy, where standard, two-state qubits are formed utilizing the two…
The generalized tight-binding model, being based on the spin-dependent sublattices, is developed to explore the magnetic quantization of monolayer bismuthene. The sp$^{3}$ orbital hybridizations, site energies, nearest and next-nearest…
We examine the validity of the weak coupling spin-susceptibility "glue" approximation (SSGA) in a two-dimensional Hubbard model for cuprates. For comparison, we employ the well-established dynamical cluster approximation (DCA) with a…
Magnetization plateaus in quantum spin systems emerges in two-dimensional frustrated systems such as kagome lattice. The spin-1/2 antiferromagnetic Heisenberg model on square-kagome lattice is also appropriate for the study of magnetization…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
We work out the magnetization and susceptibility of Heisenberg- and XXZ-model antiferromagnet spin-1/2 systems in $D$ dimensions under a rigorous constraint of single particle site occupancy. Quantum fluctuations are taken into account up…
Linked cluster series expansions about the Ising limit are used to study ground state preperties, viz. ground state energy, magnetization and excitation spectra, for mixed spin S=(1/2,1) quantum ferrimagnets on simple bipartite lattices in…
The experimental realization of various spin ladder systems has prompted their detailed theoretical investigations. Here we study the evolution of ground state magnetization with an external magnetic field for two different…
In this thesis, I use the strong coupling expansion to investigate the multiflavor lattice Schwinger models in the hamiltonian formalism using staggered fermions. In particular, I am interested in analysing the mapping of these gauge…
Quantum loop and dimer models are archetypal examples of correlated systems with local constraints. Obtaining generic solutions for these models is difficult due to the lack of controlled methods to solve them in the thermodynamic limit.…
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…
We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the…
We develop, clarify and test various aspects of cluster methods dynamical mean field methods using a soluble toy model as a benchmark. We find that the Cellular Dynamical Mean Field Theory (C-DMFT) converges very rapidly and compare its…
Quantum cluster approaches offer new perspectives to study the complexities of macroscopic correlated fermion systems. These approaches can be understood as generalized mean-field theories. Quantum cluster approaches are non-perturbative…
We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method,…