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Author : Martin A. Suhm
Publisher :
ISBN 13 :
Total Pages : 35 pages
Book Rating : 4.:/5 (263 download)
Download or read book Quantum Monte Carlo Studies of Vibrational States in Molecules and Clusters written by Martin A. Suhm and published by . This book was released on 1991 with total page 35 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Martin A. Suhm
Publisher :
ISBN 13 :
Total Pages : 37 pages
Book Rating : 4.:/5 (35 download)
Download or read book Quantum Monte Carlo Studies of Vibrational States in Molecules and Clusters written by Martin A. Suhm and published by . This book was released on 1991 with total page 37 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Mehul Vasant Patel
Publisher :
ISBN 13 :
Total Pages : 288 pages
Book Rating : 4.:/5 (34 download)
Download or read book Quantum Monte Carlo Studies of Molecules in Quantum Clusters written by Mehul Vasant Patel and published by . This book was released on 2001 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Wolfgang Schattke
Publisher : John Wiley & Sons
ISBN 13 : 3527675329
Total Pages : 308 pages
Book Rating : 4.5/5 (276 download)
Download or read book Quantum Monte-Carlo Programming written by Wolfgang Schattke and published by John Wiley & Sons. This book was released on 2013-08-30 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : M.P. Nightingale
Publisher : Springer Science & Business Media
ISBN 13 : 9780792355519
Total Pages : 488 pages
Book Rating : 4.3/5 (555 download)
Download or read book Quantum Monte Carlo Methods in Physics and Chemistry written by M.P. Nightingale and published by Springer Science & Business Media. This book was released on 1998-12-31 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years there has been a considerable growth in interest in Monte Carlo methods, and quantum Monte Carlo methods in particlular. Clearly, the ever-increasing computational power available to researchers, has stimulated the development of improved algorithms, and almost all fields in computational physics and chemistry are affected by their applications. Here we just mention some fields that are covered in the lecture notes contained in this volume, viz. electronic structure studies of atoms, molecules and solids, nuclear structure, and low- or zero-temperature studies of strongly-correlated quantum systems, both of the continuum and lattice variety, and cooperative phenomena in classical systems. Although each area of application may have its own peculiarities, requiring specialized solutions, all share the same basic methodology. It was with the intention of bringing together researchers and students from these various areas that the NATO Advanced Study Institute on Quantum Monte Carlo Methods in Physics and Chemistry was held at Cornell University from 12 to 24 July, 1998. This book contains material presented at the Institute in a series of mini courses in quantum Monte Carlo methods. The program consisted of lectures predominantly of a pedagogical nature, and of more specialized seminars. The levels varied from introductory to advanced, and from basic methods to applications; the program was intended for an audience working towards the Ph.D. level and above. Despite the essentially pedagogic nature of the Institute, several of the lectures and seminars contained in this volume present recent developments not previously published.
Author : James B. Anderson
Publisher : OUP USA
ISBN 13 : 0195310101
Total Pages : 200 pages
Book Rating : 4.1/5 (953 download)
Download or read book Quantum Monte Carlo written by James B. Anderson and published by OUP USA. This book was released on 2007-04-05 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Tao Pang
Publisher : Morgan & Claypool Publishers
ISBN 13 : 1681741733
Total Pages : 95 pages
Book Rating : 4.6/5 (817 download)
Download or read book An Introduction to Quantum Monte Carlo Methods written by Tao Pang and published by Morgan & Claypool Publishers. This book was released on 2016-12-07 with total page 95 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 4^He 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.
Author : W. A. Lester
Publisher : World Scientific
ISBN 13 : 9789810230098
Total Pages : 254 pages
Book Rating : 4.2/5 (3 download)
Download or read book Recent Advances in Quantum Monte Carlo Methods written by W. A. Lester and published by World Scientific. This book was released on 1997 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Schr”dinger 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.
Author : B. L. Hammond
Publisher : World Scientific
ISBN 13 : 9810203217
Total Pages : 320 pages
Book Rating : 4.8/5 (12 download)
Download or read book Monte Carlo Methods in Ab Initio Quantum Chemistry written by B. L. Hammond and published by World Scientific. This book was released on 1994 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are:
Author : Masuo Suzuki
Publisher : World Scientific
ISBN 13 : 9789810236830
Total Pages : 380 pages
Book Rating : 4.2/5 (368 download)
Download or read book Quantum Monte Carlo Methods in Condensed Matter Physics written by Masuo Suzuki and published by World Scientific. This book was released on 1993 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Shi Guo
Publisher :
ISBN 13 :
Total Pages : 101 pages
Book Rating : 4.:/5 (881 download)
Download or read book Quantum Monte Carlo Studies of Ultra-cold Molecules and Rashba Interactions written by Shi Guo and published by . This book was released on 2014 with total page 101 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : William A Lester
Publisher : World Scientific
ISBN 13 : 9814488607
Total Pages : 329 pages
Book Rating : 4.8/5 (144 download)
Download or read book Recent Advances In Quantum Monte Carlo Methods - Part Ii written by William A Lester and published by World Scientific. This book was released on 2002-02-27 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Emanuele Curotto
Publisher : CRC Press
ISBN 13 : 1420082264
Total Pages : 698 pages
Book Rating : 4.4/5 (2 download)
Download or read book Stochastic Simulations of Clusters written by Emanuele Curotto and published by CRC Press. This book was released on 2009-09-25 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unravels Complex Problems through Quantum Monte Carlo MethodsClusters hold the key to our understanding of intermolecular forces and how these affect the physical properties of bulk condensed matter. They can be found in a multitude of important applications, including novel fuel materials, atmospheric chemistry, semiconductors, nanotechnology, and
Author : James Gubernatis
Publisher : Cambridge University Press
ISBN 13 : 1316483126
Total Pages : 503 pages
Book Rating : 4.3/5 (164 download)
Download or read book Quantum Monte Carlo Methods written by James Gubernatis and published by Cambridge University Press. This book was released on 2016-06-02 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Featuring detailed explanations of the major algorithms used in quantum Monte Carlo simulations, this is the first textbook of its kind to provide a pedagogical overview of the field and its applications. The book provides a comprehensive introduction to the Monte Carlo method, its use, and its foundations, and examines algorithms for the simulation of quantum many-body lattice problems at finite and zero temperature. These algorithms include continuous-time loop and cluster algorithms for quantum spins, determinant methods for simulating fermions, power methods for computing ground and excited states, and the variational Monte Carlo method. Also discussed are continuous-time algorithms for quantum impurity models and their use within dynamical mean-field theory, along with algorithms for analytically continuing imaginary-time quantum Monte Carlo data. The parallelization of Monte Carlo simulations is also addressed. This is an essential resource for graduate students, teachers, and researchers interested in quantum Monte Carlo techniques.
Author : Federico Becca
Publisher : Cambridge University Press
ISBN 13 : 1107129931
Total Pages : 287 pages
Book Rating : 4.1/5 (71 download)
Download or read book Quantum Monte Carlo Approaches for Correlated Systems written by Federico Becca and published by Cambridge University Press. This book was released on 2017-11-30 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author :
Publisher :
ISBN 13 :
Total Pages : 27 pages
Book Rating : 4.:/5 (742 download)
Download or read book Quantum and Classical Monte Carlo and Molecular Dynamics Simulations of the Structures, Photoionization-Induced Fragmentation, and Optical Absorption Spectra of AlArN Clusters written by and published by . This book was released on 1999 with total page 27 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory group at AFRL/PRSP is engaged in an ongoing effort to develop, implement, and test the spectral theory of Schrodinger eigenstates for efficient construction of accurate many-body potential energy surfaces for HEDM systems such as atoms embedded in solid hydrogen. Because good experimental data is available for AlAr(sub N) clusters, they make an excellent test bed for the spectral theory and its computational implementation. We have used the spectral theory method to calculate the ground and low-lying excited states of AlAr(sub N) clusters, subsequently employing these in a sequence of quantum and classical Monte Carlo and classical molecular dynamics simulations to predict their structures, photoionization-induced fragmentation pathways, and optical absorption spectra. These simulations address the key issue of the degree of cluster fragmentation encountered following photoionization of the neutral clusters. The measured data refer to ion mass spectrometric signals of AlAr(sub N-M)(+) fragments detected subsequent to one-photon uv excitation followed by visible one-photon ionization of a distribution of non size-selected parent AlAr(sub N) clusters. Thus, the observed spectrum attributed to AlAr(sub N-M) is actually a superposition of spectra of all parent neutral clusters AlAr(sub N) which produce AlAr(sub N-M)(+) as one of the ionic fragments following the photoionization step.
Author : Shigenori Tanaka
Publisher : OUP USA
ISBN 13 : 9780841227507
Total Pages : 0 pages
Book Rating : 4.2/5 (275 download)
Download or read book Advances in Quantum Monte Carlo written by Shigenori Tanaka and published by OUP USA. This book was released on 2013-03-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains contributions from the Advances in Quantum Monte Carlo symposium, dedicated to celebrate the career of James B. Anderson, a notable researcher in the field.
