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Author : Willard Roger Brown
Publisher :
ISBN 13 :
Total Pages : 278 pages
Book Rating : 4.:/5 (34 download)
Download or read book Quantum Monte Carlo for Vibrating Molecules written by Willard Roger Brown and published by . This book was released on 1996 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Comparative Examination of the Eucharistic Liturgies of the Church of England and the Roman Catholic Churches of the Fylde Coast Area of Lancashire, Including Preston written by and published by . This book was released on 1995 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 : 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 : James B. Anderson
Publisher : Oxford University Press
ISBN 13 : 0199718741
Total Pages : 200 pages
Book Rating : 4.1/5 (997 download)
Download or read book Quantum Monte Carlo written by James B. Anderson and published by Oxford University Press. This book was released on 2007-06-18 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 : 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 : 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 : Joel M Bowman
Publisher : World Scientific
ISBN 13 : 9811237921
Total Pages : 603 pages
Book Rating : 4.8/5 (112 download)
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
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 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.
Author : Robert Nicholas Barnett
Publisher :
ISBN 13 :
Total Pages : 510 pages
Book Rating : 4.:/5 (7 download)
Download or read book Quantum Monte Carlo for Atoms and Molecules written by Robert Nicholas Barnett and published by . This book was released on 1989 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Brian Michael Austin
Publisher :
ISBN 13 :
Total Pages : 328 pages
Book Rating : 4.:/5 (35 download)
Download or read book Enhancing the Quantum Monte Carlo Method for Electronic Properties of Large Molecules and Excited States written by Brian Michael Austin and published by . This book was released on 2009 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Alexander C. Kollias
Publisher :
ISBN 13 :
Total Pages : 724 pages
Book Rating : 4.:/5 (35 download)
Download or read book Quantum Monte Carlo Theory and Applications for Molecular Systems written by Alexander C. Kollias and published by . This book was released on 2005 with total page 724 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Elsevier
ISBN 13 : 0080560792
Total Pages : 473 pages
Book Rating : 4.0/5 (85 download)
Download or read book Advances in Molecular Vibrations and Collision Dynamics written by and published by Elsevier. This book was released on 1998-09-25 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Author : Claudia Filippi
Publisher :
ISBN 13 :
Total Pages : 28 pages
Book Rating : 4.E/5 ( download)
Download or read book Multiconfiguration Wavefunctions for Quantum Monte Carlo Calculations of First-row Diatomic Molecules written by Claudia Filippi and published by . This book was released on 1996 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : W. A. Lester
Publisher : World Scientific
ISBN 13 : 9789812775696
Total Pages : 332 pages
Book Rating : 4.7/5 (756 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 2002 with total page 332 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 : Leticia González
Publisher : John Wiley & Sons
ISBN 13 : 1119417759
Total Pages : 52 pages
Book Rating : 4.1/5 (194 download)
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
