Related papers: Quantification of electron correlation for approxi…

A multiconfigurational adiabatic connection (AC) formalism is an attractive approach to computing dynamic correlation within CASSCF and DMRG models. Practical realizations of AC have been based on two approximations: i) fixing one- and…

We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the…

We extend our low-scaling variational Monte Carlo (VMC) algorithm to optimize the symmetry projected Jastrow mean field (SJMF) wavefunctions. These wavefunctions consist of a symmetry-projected product of a Jastrow and a general…

A highly efficient and simple to implement Monte Carlo algorithm is proposed for the evaluation of the Renyi entanglement entropy(REE) of quantum dimer model(QDM) at the Rokhsar-Kivelson(R-K) point. It makes possible the evaluation of REE…

We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-functional calculations is presented and solved with the…

We present a simple and efficient method to optimize within energy minimization the determinantal component of the many-body wave functions commonly used in quantum Monte Carlo calculations. The approach obtains the optimal wave function as…

Few-body correlations often express the distinguishing characteristic features of a many-body system. This thesis studies such correlations within dilute Bose-Einstein condensates in the case of arbitrary negative s-wave scattering length.…

In this work, we present the first implementation of the transcorrelated electronic Hamiltonian in an optimization procedure for matrix product states by the density matrix renormalization group (DMRG) algorithm. In the transcorrelation…

Entanglement is one of the most fascinating concepts of modern physics. In striking contrast to its abstract, mathematical foundation, its practical side is, however, remarkably underdeveloped. Even for systems of just two orbitals or sites…

We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or…

We propose efficient measurement procedures for the self-energy and vertex function of the Anderson impurity model within the hybridization expansion continuous-time quantum Monte Carlo algorithm. The method is based on the measurement of…

Theoretical understanding of the scaling of entropies and the mutual information has led to significant advances in the research of correlated states of matter, quantum field theory, and gravity. Measuring von Neumann entropy in quantum…

The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…

We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions. Ground-state VMC…

Correlations, highly important in low--dimensional systems, are known to decrease the plasmon dispersion of two-dimensional electron liquids. Here we calculate the plasmon properties, applying the 'Dynamic Many-Body Theory', accounting for…

Recent advances in quantum crystallography have shown that, beyond conventional charge density refinement, a one-electron reduced density matrix (1-RDM) satisfying N-representability conditions can be reconstructed using jointly…

Divergences that occur in density matrices of decay and scattering processes are shown to be regularized by tracing and unitarity or the optical theorem. These divergences are regularized by the lifetime of the decaying particle or the…

In recent years entanglement measures, such as the von Neumann and the R\'enyi entropies, provided a unique opportunity to access elusive feature of quantum many-body systems. However, extracting entanglement properties analytically,…

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

We propose a series of quantum algorithms for computing a wide range of quantum entropies and distances, including the von Neumann entropy, quantum R\'{e}nyi entropy, trace distance, and fidelity. The proposed algorithms significantly…