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OverviewUnravels 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 Schrödinger 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. Full Product DetailsAuthor: Emanuele Curotto (Arcadia University, Glenside, Pennsylvania, USA)Publisher: Taylor & Francis Ltd Imprint: CRC Press Weight: 0.453kg ISBN: 9781138112414ISBN 10: 1138112410 Pages: 696 Publication Date: 13 June 2017 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: In Print This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us. Table of ContentsFundamentals. Atomic Clusters. Methods in Curved Spaces. Applications to Molecular Systems. Bibliography. Index.ReviewsAuthor InformationEmanuele Curotto is a professor of chemistry at Arcadia University in Glenside, Pennsylvania. Tab Content 6Author Website:Countries AvailableAll regions |