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Stochastic Simulations of Clusters - Quantum Methods in Flat and Curved Spaces (Paperback)
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Stochastic Simulations of Clusters - Quantum Methods in Flat and Curved Spaces (Paperback)
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Unravels Complex Problems through Quantum Monte Carlo Methods
Clusters hold the key to our understanding of intermolecular forces
and how these affect the physical properties of bulk condensed
matter. They can be found in a multitude of important applications,
including novel fuel materials, atmospheric chemistry,
semiconductors, nanotechnology, and computational biology. Focusing
on the class of weakly bound substances known as van derWaals
clusters or complexes, Stochastic Simulations of Clusters: Quantum
Methods in Flat and Curved Spaces presents advanced quantum
simulation techniques for condensed matter. The book develops
finite temperature statistical simulation tools and real-time
algorithms for the exact solution of the Schroedinger equation. It
draws on potential energy models to gain insight into the behavior
of minima and transition states. Using Monte Carlo methods as well
as ground state variational and diffusion Monte Carlo (DMC)
simulations, the author explains how to obtain temperature and
quantum effects. He also shows how the path integral approach
enables the study of quantum effects at finite temperatures. To
overcome timescale problems, this book supplies efficient and
accurate methods, such as diagonalization techniques, differential
geometry, the path integral method in statistical mechanics, and
the DMC approach. Gleaning valuable information from recent
research in this area, it presents special techniques for
accelerating the convergence of quantum Monte Carlo methods.
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