Related papers: Broad histogram relation for the bond number and i…
We present an algorithm for rigid body diffusion Monte Carlo with importance sampling, which is based on a rigorous short-time expansion of the Green's function for rotational motion in three dimensions. We show that this short-time…
The previously discussed anomalous behavior (i.e. negative) of the thermal expansion coefficient obtained from the pair correlation function is examined in the context of the nearest-neighbor distance (bond length) distribution. The bond…
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…
The necessity of computing integrals with complex weights over manifolds with a large number of dimensions, e.g., in some field theoretical settings, poses a problem for the use of Monte Carlo techniques. Here it is shown that very general…
A cluster update (the ``operator-loop'') is developed within the framework of a numerically exact quantum Monte Carlo method based on the power series expansion of exp(-BH) (stochastic series expansion). The method is generally applicable…
This article is devoted to methods of construction and study of stochastic models based on Monte Carlo method. A model of Brownian motion, the construction and processing which brings to a world of random numbers and mathematical…
We present the first results of a series of Monte-Carlo simulations investigating the imprint of a central black hole on the core structure of a globular cluster. We investigate the three-dimensional and the projected density profile of the…
Using two-dimensional velocity maps and I-band photometry, we have created mass models of 40 spiral galaxies using the Milgrom relation (the basis of modified Newtonian dynamics, or MOND) to complement previous work. A Bayesian technique is…
An extension to the multiple-histogram method (sometimes referred to as the Ferrenberg-Swendsen method) for use in quantum Monte Carlo simulations is presented. This method is shown to work well for the 2D repulsive Hubbard model, allowing…
We discuss a projector Monte Carlo method for quantum spin models formulated in the valence bond basis, using the S=1/2 Heisenberg antiferromagnet as an example. Its singlet ground state can be projected out of an arbitrary basis state as…
We have developed a novel Monte Carlo method for simulating the dynamical evolution of stellar systems in arbitrary geometry. The orbits of stars are followed in a smooth potential represented by a basis-set expansion and perturbed after…
The bond graph approach to modelling biochemical networks is extended to allow hierarchical construction of complex models from simpler components. This is made possible by representing the simpler components as thermodynamically open…
The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are…
Using a collective-mode Monte Carlo method (the Wolff-Swendsen-Wang algorithm), we compute the spin-stiffness of the two-dimensional classical Heisenberg model. We show that it is the relevant physical quantity to investigate the behaviour…
We present the complete phase diagram for one-dimensional binary mixtures of bosonic ultracold atomic gases in a harmonic trap. We obtain exact results with direct numerical diagonalization for small number of atoms, which permits us to…
We explore the possibility to implement random walks in the manifold of Hartree-Fock-Bogoliubov wave functions. The goal is to extend state-of-the-art quantum Monte Carlo approaches, in particular the constrained-path auxiliary-field…
Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many systems with biological and soft matter materials solvable in solvents. The appropriate treatment of long-range…
Black holes (BHs) play a major role in the structural and dynamical evolutions of Globular Clusters (GCs). Several recent works searched for BHs in Galactic GCs using scaling relations derived from numerical simulations. However, the…
Several algorithms have been proposed to calculate the spatial entanglement spectrum from high order Renyi entropies. In this work we present an alternative approach for computing the entanglement spectrum with quantum Monte Carlo for both…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…