Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
Needs, Richard, M. D. Towler, Drummond, Neil, Lopez Rios, Pablo, J. R. Trail
Abstract
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo algorithms and software and discussing their strengths and their weaknesses. We review a range of recent applications of CASINO.
Topics & Concepts
Quantum Monte CarloMonte Carlo methodStatistical physicsStrengths and weaknessesDiffusion Monte CarloDiffusionMonte Carlo method in statistical physicsMonte Carlo molecular modelingComputer scienceFocus (optics)Range (aeronautics)Dynamic Monte Carlo methodHybrid Monte CarloPhysicsMarkov chain Monte CarloMathematicsQuantum mechanicsEngineeringPsychologyStatisticsAerospace engineeringOpticsSocial psychologyPhysics of Superconductivity and MagnetismAdvanced Chemical Physics StudiesAdvanced Condensed Matter Physics