Quantum Monte Carlo Programming
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Quantum Monte Carlo Programming
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Author : Wolfgang Schattke
language : en
Publisher: John Wiley & Sons
Release Date : 2013-08-30
Quantum Monte Carlo Programming written by Wolfgang Schattke and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-08-30 with Science categories.
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
Quantum Monte Carlo Methods In Condensed Matter Physics
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Author : Masuo Suzuki
language : en
Publisher: World Scientific
Release Date : 1993
Quantum Monte Carlo Methods In Condensed Matter Physics written by Masuo Suzuki and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Science categories.
This book reviews recent developments of quantum Monte Carlo methods and some remarkable applications to interacting quantum spin systems and strongly correlated electron systems. It contains twenty-two papers by thirty authors. Some of the features are as follows. The first paper gives the foundations of the standard quantum Monte Carlo method, including some recent results on higher-order decompositions of exponential operators and ordered exponentials. The second paper presents a general review of quantum Monte Carlo methods used in the present book. One of the most challenging problems in the field of quantum Monte Carlo techniques, the negative-sign problem, is also discussed and new methods proposed to partially overcome it. In addition, low-dimensional quantum spin systems are studied. Some interesting applications of quantum Monte Carlo methods to fermion systems are also presented to investigate the role of strong correlations and fluctuations of electrons and to clarify the mechanism of high-c superconductivity. Not only thermal properties but also quantum-mechanical ground-state properties have been studied by the projection technique using auxiliary fields. Further, the Haldane gap is confirmed by numerical calculations. Active researchers in the forefront of condensed matter physics as well as young graduate students who want to start learning the quantum Monte Carlo methods will find this book useful.
A Guide To Monte Carlo And Quantum Monte Carlo Methods
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Author : Aleksandar Ciric
language : en
Publisher: Createspace Independent Publishing Platform
Release Date : 2016-06-22
A Guide To Monte Carlo And Quantum Monte Carlo Methods written by Aleksandar Ciric and has been published by Createspace Independent Publishing Platform this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-22 with categories.
This books intention is to cover in detail everything needed for Monte Carlo and Quantum Monte Carlo methods. It does not contain the applications to the complex systems investigated today, but it comes right at their doorstep. Thus, it may be considered as beginners and intermediate level guide. This book started as a guide for postgraduate students, and it continued in that fashion - to be clear and understandable, while covering all the material. It is the union of all the important parts from all of those books listed in bibliography, with additional code, images and explanations. The book starts with a short introduction to random number generators and statistics, progresses to the Monte Carlo method in general, Markov Chain, Markov Chain Monte Carlo, and finally - Quantum Monte Carlo section. It touches on the subject of the Hidden Monte Carlo. As for the Quantum Monte Carlo, Variational Monte Carlo and Diffusion Monte Carlo methods are described in detail, including problems like fixed-node approximation, importance sampling, Metropolis algorithm, etc. Program code is in C++, however, the algorithms are clearly presented and the code is understandable and commented so it can be ported to other programming languages.
An Introduction To Quantum Monte Carlo Methods
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Author : T Pang
language : en
Publisher: Myprint
Release Date : 2016-12-07
An Introduction To Quantum Monte Carlo Methods written by T Pang and has been published by Myprint this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-07 with categories.
Recent Advances In Quantum Monte Carlo Methods Part Ii
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Author : William A Lester Jr.
language : en
Publisher: World Scientific
Release Date : 2002-02-27
Recent Advances In Quantum Monte Carlo Methods Part Ii written by William A Lester Jr. and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-02-27 with Science categories.
This invaluable book consists of 16 chapters written by some of the most notable researchers in the field of quantum Monte Carlo, highlighting the advances made since Lester Jr.'s 1997 monograph with the same title. It may be regarded as the proceedings of the Symposium on Advances in Quantum Monte Carlo Methods held during the Pacifichem meeting in December 2000, but the contributions go beyond what was presented there. Contents:Theory/Algorithm DevelopmentProperties of Ground State Atoms and MoleculesExcited Electronic StatesLarge Systems and ClustersCondensed Matter Readership: Graduate students and researchers in theoretical chemistry, computational physics, theoretical condensed matter physics, applied physics and applied mathematics. Keywords:
Recent Advances In Quantum Monte Carlo Methods
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Author : W. A. Lester
language : en
Publisher: World Scientific
Release Date : 1997
Recent Advances In Quantum Monte Carlo Methods written by W. A. Lester and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.
The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve the Schrdinger equation, for example, diffusion and Green's function Monte Carlo, as well as variational Monte Carlo. The latter is an approach to computing atomic and molecular properties by the Monte Carlo method that has fundamental similarities to basis set methods with the exception that the limitation to one-particle basis functions to facilitate integral evaluation is avoided. This feature makes possible the consideration of many-body wave functions containing explicitly interparticle distances ? a capability common to all variants of QMC.
Quantum Monte Carlo
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Author : James B. Anderson
language : en
Publisher: OUP USA
Release Date : 2007-04-05
Quantum Monte Carlo written by James B. Anderson and has been published by OUP USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-05 with Art categories.
Monte Carlo methods are a class of computational algorithms for simulating the behavior of a wide range of various physical and mathematical systems (with many variables). Their utility has increased with general availability of fast computers, and new applications are continually forthcoming. The basic concepts of Monte Carlo are both simple and straightforward and rooted in statistics and probability theory, their defining characteristic being that the methodology relies on random or pseudo-random sequences of numbers. It is a technique of numerical analysis based on the approximate solution of a problem using repeated sampling experiments and observing the proportion of times a given property is satisfied. The term Monte Carlo was first used to describe calculational methods based on chance in the 1940s, but the methods themselves preceded the term by as much as a century. Quantum Monte Carlo (QMC) first appeared in 1982 and similarly was preceded by development of the related calculational methodology. The success of QMC methods over the past few decades has been remarkable, and this book will clearly demonstrate that success in its discussion of applications. For isolated molecules, the basic material of chemistry, QMC methods have produced exact solutions of the Schroedinger equation for very small systems and the most accurate solutions available for very large systems. The range of applications is impressive: folding of protein molecules, interactions in liquids, structure modeling in crystals and enzymes, quantum dots, designing heat shields and aerodynamic forms, architecture, design, business and economics, and even cinema and video games (3D modeling). This book takes a similar approach to Henry Schaefers classic book Quantum Chemistry (OUP, 1984 now a Dover edition), collecting summaries of some of the most important papers in the quantum Monte Carlo literature, tying everything together with analysis and discussion of applications. Quantum Monte Carlo is a reference book for quantum Monte Carlo applications, belonging near the desk of every quantum chemist, physicist, and a wide range of scientists and engineers across many disciplines, destined to become a classic.
An Introduction To Quantum Monte Carlo Methods
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Author : Tao Pang
language : en
Publisher:
Release Date : 2016
An Introduction To Quantum Monte Carlo Methods written by Tao Pang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with Monte Carlo method categories.
Monte Carlo methods have been very prominent in computer simulation of various systems in physics, chemistry, biology, and materials science. This book focuses on the discussion and path-integral quantum Monte Carlo methods in many-body physics and provides a concise but complete introduction to the Metropolis algorithm and its applications in these two techniques. To explore the schemes in clarity, several quantum many-body systems are analysed and studied in detail. The book includes exercises to help digest the materials covered. It can be used as a tutorial to learn the discussion and path-integral Monte Carlo or a recipe for developing new research in the reader's own area. Two complete Java programs, one for the discussion Monte Carlo of 4He clusters on a graphite surface and the other for the path-integral Monte Carlo of cold atoms in a potential trap, are ready for download and adoption.
Quantum Monte Carlo Methods
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Author : James Gubernatis
language : en
Publisher: Cambridge University Press
Release Date : 2016-06-02
Quantum Monte Carlo Methods written by James Gubernatis and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-02 with Computers categories.
The first textbook to provide a pedagogical examination of the major algorithms used in quantum Monte Carlo simulations.
Quantum Monte Carlo Approaches For Correlated Systems
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Author : Federico Becca
language : en
Publisher: Cambridge University Press
Release Date : 2017-11-30
Quantum Monte Carlo Approaches For Correlated Systems written by Federico Becca and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-30 with Science categories.
A comprehensive introduction to state-of-the-art quantum Monte Carlo techniques for applications in strongly-interacting systems. Including variational wave functions, stochastic samplings, the variational technique, optimisation techniques, real-time dynamics and projection methods and recent developments on the continuum space. An extensive resource for students and researchers.