24小时热门版块排行榜

返回列表

【奖励】本帖被评价168次，作者shileijerry增加金币 134.2 个

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

shileijerry

至尊木虫 (知名作家)

应助: 7 (幼儿园)
金币: 53733
帖子: 5466
在线: 728.9小时
虫号: 1189666

[资源] 2013新著：量子Monte Carlo 模拟：从原子、分子、团簇及固体起始（英文版）

Quantum Monte Carlo Programming: For Atoms, Molecules, Clusters, and Solids

About this Book
Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids.
Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum-Monte-Carlo (VQMC) scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. Several intermediate steps cover the Hydrogen molecule, how to deal with a two electron systems, going over to three electrons, and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal.
The exmples in the field of VQMC are followed by the subject of diffusion Monte-Calro (DMC) which covers a common example, the harmonic ascillator.
The book is unique as it provides both theory and numerical programs. It includes rather practical advices to do what is usually described in a theoretical textbook, and presents in more detail the physical understanding of what the manual of a code usually promises as result. Detailed derivations can be found at the appendix, and the references are chosen with respect to their use for specifying details or getting an deeper understanding .
The authors address an introductory readership in condensed matter physics, computational phyiscs, chemistry and materials science. As the text is intended to open the reader's view towards various possibilities of choices of computing schemes connected with the method of QMC, it might also become a welcome literature for researchers who would like to know more about QMC methods.
The book is accompanied with a collection of programs, routines, and data. To download the codes, please follow http://www.wiley-vch.de/books/sample/3527408517_codes.tar.gz
More about this book summary
目录：
Table of contents
Select All

You have free access to this contentFront Matter (pages I–XII)
SummaryPDF(83K)Request Permissions

Chapter 1
A First Monte Carlo Example (pages 1–22)
SummaryPDF(623K)Request Permissions

Chapter 2
Variational Quantum Monte Carlo for a One-Electron System (pages 23–37)
SummaryPDF(368K)Request Permissions

Chapter 3
Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule (pages 39–60)
SummaryPDF(220K)Request Permissions

Chapter 4
Three Electrons: Lithium Atom (pages 61–119)
SummaryPDF(562K)Request Permissions

Chapter 5
Many-Electron Confined Systems (pages 121–145)
SummaryPDF(510K)Request Permissions

Chapter 6
Many-Electron Atomic Aggregates: Lithium Cluster (pages 147–179)
SummaryPDF(338K)Request Permissions

Chapter 7
Infinite Number of Electrons: Lithium Solid (pages 181–222)
SummaryPDF(508K)Request Permissions

Chapter 8
Diffusion Quantum Monte Carlo (DQMC) (pages 223–235)
SummaryPDF(134K)Request Permissions

Chapter 9
Epilogue (page 237)
SummaryPDF(19K)Request Permissions
You have free access to this contentAppendix (pages 239–268)
SummaryPDF(183K)Request Permissions
You have free access to this contentReferences (pages 269–271)
SummaryPDF(49K)ReferencesRequest Permissions
You have free access to this contentIndex (pages 273–279)
SummaryPDF(55K)Request Permissions

回复此楼

» 本帖附件资源列表

欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：xiaomuchong@tal.com
附件 1 : Quantum_Monte_Carlo_Programming__For_Atoms,_Molecules,_Clusters,_and_Solids.pdf

2014-12-01 20:48:20, 3.3 M

» 收录本帖的淘帖专辑推荐

书籍下载网站	经典资源帖	专业书籍（外文版）WM	物理化学材料类书籍
仿真建模与计算	新能源	物理，光学	下载
资源	分子动力学	收集	我的分享