Quantum Monte Carlo programming : for atoms, molecules, clusters, and solids /

• Main Author: Schattke, Wolfgang
• Other Authors: Díez Muiño, Ricardo
• Format: eBook
• Language: English
• Published: Weinheim : Wiley-VCH, [2013]
• Subjects: Monte Carlo method.; MATHEMATICS > Numerical Analysis.; Electronic books.

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 requi...

Table of Contents:

• 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).