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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…

Chemical Physics · Physics 2016-08-24 Jean Hoarau , Jean-Claude Rayez

Computational codes based on the Diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various nature and geometry. In this work, we show how the application of…

Chemical Physics · Physics 2021-02-24 Gaia Micca Longo , Carla Maria Coppola , Domenico Giordano , Savino Longo

Measurements of force generated by a positive unipolar wire-to-plane corona discharge in air are compared with numerical simulations. The generated force does not depend on the ion or electron mobilities, preventing the influence of…

Plasma Physics · Physics 2007-05-23 V. O. de Haan

Several models for the Monte Carlo simulation of Compton scattering on electrons are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. Some of these models are currently…

In this work, we analyze the creation of the discharge asymmetry and the concomitant formation of the DC self-bias voltage in capacitively coupled radio frequency plasmas driven by multi-frequency waveforms, as a function of the electrode…

Plasma Physics · Physics 2024-06-19 R. U. Masheyeva , K. N. Dzhumagulova , M. Myrzaly , J. Schulze , Z. Donko

Exploiting an approach similar to the R-matrix theory, the diffusion Monte Carlo method is employed to compute phase shifts and threshold cross sections for the elastic scattering of o-positronium off light atoms. Results are obtained for…

Atomic Physics · Physics 2009-11-07 Simone Chiesa , Massimo Mella , Gabriele Morosi

We report on a diffusion Monte Carlo investigation of model electron systems in low dimensions, which should be relevant to the physics of systems obtainable nowadays in semiconductor heterostructures. In particular, we present results for…

Strongly Correlated Electrons · Physics 2007-05-23 A. Malatesta , Gaetano Senatore

Various phase transitions in models for coupled charge-density waves are investigated by means of the $\epsilon$-expansion, mean-field theory, and Monte Carlo simulations. At zero temperature the effective action for the system with…

Strongly Correlated Electrons · Physics 2009-11-10 Minchul Lee , Eun-Ah Kim , Jong Soo Lim , M. Y. Choi

With an implicit Particle-in-cell/Monte Carlo model, capacitively coupled plasmas are studied in two-dimensional and axisymmetric geometry. Self-bias dc voltage effects are self-consistently considered. Due to finite length effects, the…

Plasma Physics · Physics 2011-04-22 Wei Jiang , Hong-yu Wang , Zhen-hua Bi , You-nian Wang

The unified 3D phase-field model for the description of the lithium-ion cell as a whole is developed. The model takes into account the realistic distribution of particles in porous electrodes, percolative transport of ions, and the…

Disordered Systems and Neural Networks · Physics 2021-05-11 Pavel E. L'vov , Mikhail Yu. Tikhonchev , Renat T. Sibatov

A Monte Carlo method is presented to evaluate quantum states with many particles moving in the continuum. The scattering state is generated at each time by a Monte Carlo random sampling algorithm. The same calculation are repeated until the…

Nuclear Theory · Physics 2013-06-06 Zhen-Xiang Xu , Chong Qi

In this paper we present a model based on dynamics of the electrons in the plasma using a simplified Boltzmann equation coupled with a Poisson equation. The motivation arose to simulate active plasma resonance spectroscopy which is used for…

Numerical Analysis · Mathematics 2012-01-13 Juergen Geiser , Thomas Zacher

We present ground and excited state energies obtained from Diffusion Monte Carlo (DMC) calculations, using accurate multiconfiguration wave functions, for $N$ electrons ($N\le13$) confined to a circular quantum dot. We analyze the…

Condensed Matter · Physics 2009-10-31 F. Pederiva , C. J. Umrigar , E. Lipparini

We present a Monte Carlo collisional scheme that models single Compton scattering between leptons and photons in particle-in-cell codes. The numerical implementation of Compton scattering can deal with macro-particles of different weights…

Computational Physics · Physics 2020-10-28 F. Del Gaudio , T. Grismayer , R. A. Fonseca , L. O. Silva

Analysis of space-charge effects on electron emission typically makes some assumption of continuity and smoothness, whether this is continuity of charge as in the classical derivation of the Child-Langmuir current, or the mean-field…

Accelerator Physics · Physics 2026-03-06 Arnar Jonsson , Kristinn Torfason , Andrei Manolescu , Agust Valfells

We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…

Materials Science · Physics 2009-10-31 Maziar Nekovee , W. M. C. Foulkes , R. J. Needs

We use the one-dimensional object-oriented particle-in-cell Monte Carlo collision code oopd1 to explore the influence of the surface quenching of the singlet delta metastable molecule O$_2$(a$^1\Delta_{\rm g}$) on the electron heating…

Plasma Physics · Physics 2018-07-10 Andrea Proto , J. T. Gudmundsson

We study the geometric particle-in-cell methods for an electrostatic hybrid plasma model. In this model, ions are described by the fully kinetic equations, electron density is determined by the Boltzmann relation, and space-charge effects…

Numerical Analysis · Mathematics 2026-03-26 Yingzhe Li

This perspective paper deals with an overview of particle-in-cell / Monte Carlo collision models applied to different plasma-propulsion configurations and scenarios, from electrostatic (E x B and pulsed arc) devices to electromagnetic (RF…

Plasma Physics · Physics 2023-04-12 F. Taccogna , F. Cichocki , D. Eremin , G. Fubiani , L. Garrigues

We present a unique compact model for oxide memristors, based upon the concentration of oxygen vacancies as state variables. In this model, the increase (decrease) in oxygen vacancy concentration is similar in effect to the reduction…

Applied Physics · Physics 2022-04-13 Andre Zeumault , Shamiul Alam , Md Omar Faruk , Ahmedullah Aziz