A Wigner Monte Carlo approach to density functional theory

DOI10.1016/J.JCP.2014.03.065MaRDI QIDQ349175zbMATH OpenOpenAlexFDO

Authors J. M. Sellier, I. Dimov

Publication date 5 December 2016

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2014.03.065

zbMATH Keywords

Monte Carlo methodsdensity functional theoryWigner equationcomputational chemistryKohn-Sham systems

Mathematics Subject Classification ID

Model quantum field theories (81T10)

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Cites work

• scientific article; zbMATH DE number 41859 (Why is no real title available?)
• scientific article; zbMATH DE number 1569641 (Why is no real title available?)
• scientific article; zbMATH DE number 1569644 (Why is no real title available?)
• scientific article; zbMATH DE number 5658802 (Why is no real title available?)
• A Simplification of the Hartree-Fock Method
• Monte Carlo Methods for Applied Scientists
• Particle Monte Carlo simulation of Wigner function tunneling
• Two derivations of the master equation of quantum Brownian motion

Cited in

(20)

• Wigner Monte Carlo simulation without discretization error of the tunneling rectangular barrier
• Quantum Monte Carlo studies of density functional theory.
• On a full Monte Carlo approach to quantum mechanics
• A cellular automaton for the signed particle formulation of quantum mechanics
• Signed particles and neural networks, towards efficient simulations of quantum systems
• The Full Configuration Interaction Quantum Monte Carlo Method through the Lens of Inexact Power Iteration
• An Advective-Spectral-Mixed Method for Time-Dependent Many-Body Wigner Simulations
• The Wigner function of ground state and one-dimensional numerics
• Comparison of deterministic and stochastic methods for time-dependent Wigner simulations
• Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
• Combining neural networks and signed particles to simulate quantum systems more efficiently
• On the Wigner Monte Carlo method coupled to pseudopotential models
• A finite element configuration interaction method for Wigner localization
• On the simulation of indistinguishable fermions in the many-body Wigner formalism
• A signed particle formulation of non-relativistic quantum mechanics
• Molecular descriptors and quasi-distribution functions
• The many-body Wigner Monte Carlo method for time-dependent ab-initio quantum simulations
• A benchmark study of the signed-particle Monte Carlo algorithm for the Wigner equation
• THE APPLICATION OF THSR WAVE FUNCTION USING MONTE CARLO TECHNIQUE
• An introduction to applied quantum mechanics in the Wigner Monte Carlo formalism

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Uses Software

• Archimedes

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