Screen LibraryQuantum Monte Carlo programming for atoms, molecules, clusters, and solids /
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...
Saved in:
| Main Authors: | |
|---|---|
| Group Author: | |
| Published: |
|
| Literature type: | Electronic eBook |
| Language: | English |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/9783527676729 |
| Summary: |
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. |
| Carrier Form: | 1 online resource (xii, 279 pages) : illustrations |
| Bibliography: | Includes bibliographical references (pages 269-271) and index. |
| ISBN: |
9783527676729 3527676724 9783527675746 9783527675326 3527675329 9783527675319 3527675310 3527675744 3527408517 9783527408511 9781299738126 1299738125 |
| Index Number: | T57 |
| CLC: | TB3 |
| 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). |