TY - BOOK AU - Schattke,Wolfgang AU - Díez Muiño,Ricardo TI - Quantum Monte Carlo programming: for atoms, molecules, clusters, and solids SN - 9783527676729 AV - T57.64 .S33 2013 U1 - 518/.282 23 PY - 2013///] CY - Weinheim PB - Wiley-VCH KW - Monte Carlo method KW - MATHEMATICS KW - Numerical Analysis KW - bisacsh KW - fast KW - Electronic books N1 - Includes bibliographical references (pages 269-271) and index; A First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC) N2 - In one source, this textbook provides quick and comprehensive access to quantitative calculations in materials science. The authors address both newcomers as well as researchers who would like to become familiar with QMC in order to apply to their research. As such, they cover the basic theory required for applying the method, and describe how to transfer this knowledge into calculation. The book includes a series of problems of increasing difficulty with associated stand-alone programs which will be available for free download UR - https://eresourcesptsl.ukm.remotexs.co/user/login?url=https://doi.org/10.1002/9783527676729 ER -