Related papers: Variational Calculations for $^3$He Impurities on …
The d+N systems are studied in a three-body model, using phenomenological N-N interactions. The scattering matrices are calculated by using the Kohn-Hulthen variational method. Then, they are analytically continued to complex energies and…
The real-space variation quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) are used to calculate the quasiparticle energy bands and the quasiparticle effective mass of the paramagnetic and ferromagnetic two-dimensional…
We show how to use the multiple histogram method to combine canonical ensemble Monte Carlo simulations made at different temperatures and densities. The method can be applied to study systems of particles with arbitrary interaction…
The ground and excited state properties of small helium clusters, 4He_N, containing nanoscale (~3-10 Angstroms) planar aromatic molecules have been studied with quantum Monte Carlo methods. Ground state structures and energies are obtained…
We introduce a particle-number reprojection method in the shell model Monte Carlo that enables the calculation of observables for a series of nuclei using a Monte Carlo sampling for a single nucleus. The method is used to calculate nuclear…
We have used diffusion Monte Carlo (DMC) simulations to calculate the energy barrier for H$_2$ dissociation on the Mg(0001) surface. The calculations employ pseudopotentials and systematically improvable B-spline basis sets to expand the…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
We used a quantum Monte Carlo method to study the magnetic impurity adatoms on graphene. We found that by tuning the chemical potential we could switch the values of the impurity's local magnet moment between relatively large and small…
A direct and exact method for calculating the density of states for systems with localized potentials is presented. The method is based on explicit inversion of the operator $E-H$. The operator is written in the discrete variable…
Variational Monte-Carlo calculations are carried out for ${_{\Lambda\Lambda}^4}H$ to explore on the possibility of its existence, using realistic NN, NNN, and phenomenological {\Lambda}N and {\Lambda}NN interactions. We also perform…
The energy per particle of many body wavefunctions that mix Laughlin liquid with crystalline correlations for periodic samples in the Haldane-Rezayi configuration is numerically evaluated for periodic samples. The Monte Carlo algorithm is…
For interacting electrons in solids, Heisenberg's equation is used to calculate the distribution in energy of transitions induced by adding an electron to an atomic-like spin orbital. This is the projected density of transitions which…
In this paper we calculate kinetic, potential and full energy with three- and four-particle direct correlations taken into account at wide temperature region on the base of the density matrix of the interacting Bose-particles [I. O.…
A method to efficiently compute, in a automatic way, helicity amplitudes for arbitrary scattering processes at leading order in the Standard Model is presented. The scattering amplitude is evaluated recursively through a set of…
The diffusion Monte Carlo method is applied to describe a trapped atomic Bose-Einstein condensate at zero temperature, fully quantum mechanically and nonperturbatively. For low densities, $n(0)a^3 \le 2 \cdot 10^{-3}$ [n(0): peak density,…
We present a simple interpolation formula using dimensional limits $D=1$ and $D=\infty$ to obtain the $D=3$ ground-state energies of atoms and molecules. For atoms, these limits are linked by first-order perturbation terms of…
We perform calculations of the {3D} finite-temperature homogeneous electron gas (HEG) in the warm-dense regime ({r_{s} \equiv (3/4\pi n)^{1/3}a_{B}^{- 1} = 1.0- 40.0} and {\Theta \equiv T/T_{F} = 0.0625- 8.0}) using restricted path integral…
We have investigated how helium atoms are distributed within a mixed $^3$He$_{N_3}$-$^4$He$_{N_4}$ large drop with $N_3 \gg N_4$. For drops doped with a SF$_6$ molecule or a Xe atom, we have found that the number of $^3$He atoms within the…
We present a new, mathematically rigorous, method suitable for bound state and scattering processes calculations for various three atomic or molecular systems where the underlying forces are of a hard-core nature. We employed this method to…
The ground state properties of spin-polarized deuterium (D$\downarrow$) at zero temperature are obtained by means of the diffusion Monte Carlo calculations within the fixed-node approximation. Three D$\downarrow$ species have been…