Variational and diffusion quantum Monte Carlo calculations with the CASINO code
R. J. Needs, M. D. Towler, N. D. Drummond, P. López Ríos, 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 weaknesses. We review a range of recent applications of casino.
Topics & Concepts
Quantum Monte CarloStatistical physicsMonte Carlo methodMonte Carlo method in statistical physicsMonte Carlo molecular modelingFocus (optics)PhysicsDiffusionQuantumRange (aeronautics)Diffusion Monte CarloDynamic Monte Carlo methodCode (set theory)Hybrid Monte CarloComputer scienceSoftwareQuantum annealingKinetic Monte CarloQuantum computerMarkov chain Monte CarloAlgorithmVariational methodMathematical Approximation and IntegrationQuantum Computing Algorithms and ArchitectureQuantum, superfluid, helium dynamics