Related papers: Suppressing ionic terms with number counting Jastr…
In order to quantize systems involving second-class constraints, one should use Dirac bracket instead of Poisson bracket. Furthermore, one can specify a star product in which the term linear in $\hbar$ is proportional to the Dirac bracket.…
We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the dependence can be significant, in particular in the case of 3d…
We investigate in a simple model whether a Jastrow-based approach for a many-body system containing two-body interactions can be exact. By comparison with recent assertions to the contrary, we find that in general the exact wave function is…
Many bosonic (fermionic) fractional quantum Hall states, such as Laughlin, Moore-Read and Read-Rezayi wavefunctions, belong to a special class of orthogonal polynomials: the Jack polynomials (times a Vandermonde determinant). This…
We provide a general method to construct local infrared subtraction counterterms for unresolved radiative contributions to differential cross sections, to any order in perturbation theory. We start from the factorised structure of virtual…
A constructive theoretical platform for the description of quantum space-time crystals uncovers for $N$ interacting and ring-confined rotating particles the existence of low-lying states with proper space-time crystal behavior. The…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
We present an improved formalism for quantum Monte Carlo calculations of energy derivatives and properties (e.g. the interatomic forces), with a multideterminant Jastrow-Slater function. As a function of the number $N_e$ of Slater…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…
Quantum Monte Carlo methods have proven to predict atomic and bulk properties of light and non-light elements with high accuracy. Here we report on the first variational quantum Monte Carlo (VMC) calculations for solid surfaces. Taking the…
Two-Body Dirac equations of constraint dynamics provide a covariant framework to investigate the problem of highly relativistic quarks in meson bound states. This formalism eliminates automatically the problems of relative time and energy,…
We extend a previously developed model for the Stark resonances of the water molecule. The method employs a partial-wave expansion of the single-particle orbitals using spherical harmonics. To find the resonance positions and decay rates,…
Factorization in gauge theories holds at the amplitude or amplitude-squared level for states of given soft or collinear momenta. When performing phase-space integrals over such states, one would generally like to avoid putting in explicit…
We study separations between two fundamental models (or \emph{Ans\"atze}) of antisymmetric functions, that is, functions $f$ of the form $f(x_{\sigma(1)}, \ldots, x_{\sigma(N)}) = \text{sign}(\sigma)f(x_1, \ldots, x_N)$, where $\sigma$ is…
In this work we analyze the analytic structure of tree-level flat-space wavefunction coefficients (WFCs), with particular attention to fermionic operators, and derive cutting rules for internal-fermion lines. Building on these results, we…
This paper deals with the inverse problem of recovering an arbitrary number of fractional damping terms in a wave equation. We develop several approaches on uniqueness and reconstruction, some of them relying on Tauberian theorems on the…
All-electron variational and diffusion quantum Monte Carlo calculations of the ground state energies of the first row atoms (Li to Ne) are reported. We use trial wavefunctions of four types: single determinant Slater-Jastrow wavefunctions;…
A new modified Poisson-Boltzmann equation accounting for the finite size of the ions valid for realistic salt-free concentrated suspensions has been derived, extending the formalism developed for pure salt-free suspensions [Roa et al.,…
We study many-body correlations in the ground states of a general quantum system of bosons or fermions by including an additional Jastrow function in our ecently proposed variational coupled-cluster method. Our approach combines the…
We apply the transcorrelated method to problems of multireference character. For this, we show that the choice of reference wavefunction during the Jastrow optimisation procedure is vital, and we propose a workflow wherein we use…