Related papers: Quantification of electron correlation for approxi…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
Quantum Monte Carlo calculations of the first-row atoms Li-Ne and their singly-positively-charged ions are reported. Multi-determinant-Jastrow-backflow trial wave functions are used which recover more than 98% of the correlation energy at…
The density matrix renormalization group (DMRG) method allows an efficient computation of the properties of interacting 1D quantum systems. Two-dimensional (2D) systems, capable of displaying much richer quantum behavior, generally lie…
The static-response function of strongly interacting neutron matter contains crucial information on this interacting many-particle system, going beyond ground-state properties. In the present work, we tackle this problem with quantum Monte…
We study the correlation between an impurity and a small ensemble of bosonic particles in one dimension. Our study analyzes the one-body density matrix and calculates the corresponding von Neumann entanglement entropy as a function of the…
Over time, many different theories and approaches have been developed to tackle the many-body problem in quantum chemistry, condensed-matter physics, and nuclear physics. Here we use the helium atom, a real system rather than a model, and…
The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…
Many-body densities and correlation functions are of paramount importance for understanding quantum many-body physics. Here, we present a method to compute them; our approach is general and based on the action of bosonic or fermionic…
The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures.…
Entanglement of spatial bipartitions, used to explore lattice models in condensed matter physics, may be insufficient to fully describe itinerant quantum many-body systems in the continuum. We introduce a procedure to measure the R\'enyi…
We develop a graph-based method to study the entanglement entropy of Calderbank-Shor-Steane quantum codes. This method offers a straightforward interpretation for the entanglement entropy of quantum error correcting codes through…
In the context of Matrix/light-cone gauge M-theory, we develop a new approach for computing quantum entanglement between a probe gravitating in the vicinity of a source mass and the source mass. We demonstrate that this entanglement is…
To this day, von Neumann definition of entropy remains the most popular measure of quantum entanglement. Much of the literature on entanglement entropy, particularly in the context of field theory, has focused on isolating the UV…
We present a statistical framework for extracting spatially resolved entanglement directly from an ensemble of marginal (one-body) wavefunctions in Time-Dependent Quantum Monte Carlo (TDQMC). Treating the guide waves as a statistical…
Diamond is a solid-state platform to develop quantum technologies, but it has been a long-standing problem that the current understanding of quantum states in diamond is mostly limited to single-electron pictures. Here, we combine the full…
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information…
We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short inter-particle distance and the space-group symmetry of the simulation cell at large…
We present a quantum Monte Carlo-based approach to detect and compute the most dominant correlations for many-body systems without prior knowledge. It is based on the measurement and analysis of the correlation density matrix between two…
Symmetry and entanglement are two fundamental concepts in quantum many-body physics. Their interplay is captured by symmetry-resolved entanglement, which decomposes the total entanglement into contributions from different symmetry sectors.…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…