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We derive expressions for cluster overlap integrals or channel cluster form factors for ab initio no-core shell model (NCSM) wave functions. These are used to obtain the spectroscopic factors and can serve as a starting point for the…
Diffusion Monte Carlo (DMC) calculations are performed on the monocyclic and bicyclic forms of m-benzyne, which are the equilibrium structures at the CCSD(T) and CCSD levels of coupled cluster theory. We employed multi-configuration…
We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the 3D unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a…
TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC),…
Recently, novel numerical computation on quantum mechanics by using a bootstrap method was proposed by Han, Hartnoll, and Kruthoff. We consider whether this method works in systems with a $\theta$-term, where the standard Monte-Carlo…
The linear correlation between RMS radius difference and composition asymmetry in two-component many-body systems is a robust feature observed across nuclear experiments, diverse theoretical models, and metallic nano-alloy cluster…
Within the framework of Einstein's General Relativity we study strange quark stars assuming an interacting equation-of-state. Taking into account the presence of anisotropies in a sphere made of ultra dense matter, we employ the formalism…
We present a study of mono(benzene)TM and bis(benzene)TM systems, where TM={Mo,W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results with other methods and available experiments. The orbitals…
By Monte Carlo simulations in the canonical ensemble, we have studied the magnetic anisotropy in Fe/Dy amorphous multilayers. This work has been motivated by experimental results which show a clear correlation between the magnetic…
In conventional molecular simulation, metastable structures often survive over considerable computational time, resulting in difficulties in simulating equilibrium states. In order to overcome this difficulty, here we propose a newly…
Studies of one-body density matrices (ODM) are performed in various correlation methods, such as the Jastrow method, the correlated basis function method, the Green's function method and the generator coordinate method aiming to extract the…
Monte Carlo is a versatile and frequently used tool in statistical physics and beyond. Correspondingly, the number of algorithms and variants reported in the literature is vast, and an overview is not easy to achieve. In this pedagogical…
Integrable Quantum Field Theories can be solved exactly using bootstrap techniques based on their elastic and factorisable S-matrix. While knowledge of the scattering amplitudes reveals the exact spectrum of particles and their on-shell…
A path integral Monte Carlo method based on the worm algorithm has been developed to compute the chemical potential of interacting bosonic quantum fluids. By applying it to finite-sized systems of helium-4 atoms, we have confirmed that the…
The extraction of elastic form factors for mesons in the context of the contact interaction model is revisited in this manuscript. The dressed masses of quarks and mesons are determined through the gap and Bethe-Salpeter equations. The…
By direct Monte-Carlo simulations it is shown that the anisotropic flows can be successfully described in the colour string picture with fusion and percolation provided anisotropy of particle emission from the fused string is taken into…
Binary mixtures of hard-spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the…
The scattering equation formalism is a general framework for calculation of amplitudes in theories of massless particles. We provide a detailed introduction to the 4D scattering equation framework accessible to non-experts, outline current…
We compute the cross section for scattering of light string probes by randomly excited closed strings. For high energy probes, the cross section factorizes and can be used to define effective form factors for the excited targets. These form…
We present a comparison between a number of recently introduced low-memory wave function optimization methods for variational Monte Carlo in which we find that first and second derivative methods possess strongly complementary relative…