Related papers: Pfaffian pairing and backflow wave functions for e…
Finding high-quality trial wave functions for quantum Monte Carlo calculations of light nuclei requires a strong intuition for modeling the interparticle correlations as well as large computational resources for exploring the space of…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…
Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions and near degeneracy static correlations. In this work we analyze for a one-dimensional model of a…
We present a simulation algorithm for Hamiltonian fermion lattice models. A guiding trial wave function is adaptively optimized during Monte Carlo evolution. We apply the method to the two dimensional Gross-Neveu model and analyze systematc…
We supplement the determinantal and Pfaffian bounds of Sims and Warzel (Commun Math Phys 347:903--931, 2016) for many-body localization of quasi-free fermions, by considering the high dimensional case and complex-time correlations. Our…
The structure of approximate two electron wavefunction is deeply investigated, both theoretically and numerically, in the strong-field driven ionization dynamics. Theoretical analyses clarify that for two electron singlet systems, the…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…
Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often neglected. A large orbital basis is needed to saturate both…
We study the crossover of a finite one-dimensional (1D) bosonic ensemble from weak to strong interactions in harmonic traps and multi-well potentials. Although these systems are very common in experimental setups and have been studied…
We show how a ground state trial wavefunction of a Fermi liquid can be systematically improved introducing a sequence of renormalized coordinates through an iterative backflow transformation. We apply this scheme to calculate the ground…
Background: Near-barrier fusion can be strongly affected by the coupling between relative motion and internal degrees of freedom of the collision partners. The time-dependent Hartree-Fock (TDHF) theory and the coupled-channels (CC) method…
In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…
We show that the correlation functions associated to symmetrized increasing subsequence problems can be expressed as pfaffians of certain antisymmetric matrix kernels, thus generalizing the result of math.RT/9907127 for the unsymmetrized…
We propose to quantify the "correlation" inherent in a many-electron (or many-fermion) wavefunction by comparing it to the unique uncorrelated state that has the same single-particle density operator as it does.
We present a novel technique well suited to study the ground state of inhomogeneous fermionic matter in a wide range of different systems. The system is described using a Fermionic Shadow wavefunction (FSWF) and the energy is computed by…
A new class of analytic wave functions is derived for two dimensional N-electron (2 <= N < infinity) systems in high magnetic fields. These functions are constructed through breaking (at the Hartree-Fock level) and subsequent restoration…
Among the variational wave functions for Fermionic Hamiltonians, neural network backflow (NNBF) and hidden fermion determinant states (HFDS) are two prominent classes to provide accurate approximations to the ground state. Here we develop a…
We adapt the Monte-Carlo wavefunction (MCWF) approach to treat the open-system spin dynamics of radical pairs subject to spin-selective recombination reactions. For these systems, non-Lindbladian master equations are widely employed, which…