An Extended Lagrangian Method
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|Author||: Ilya Prigogine,Stuart A. Rice|
|Publsiher||: John Wiley & Sons|
|Total Pages||: 812|
Download New Methods in Computational Quantum Mechanics Book in PDF, Epub and Kindle
The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computational quantum chemistry is not well known outside the community of practitioners. In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry. This stand-alone work presents the cutting edge of research in computational quantum mechanics. Supplemented with more than 150 illustrations, it provides evaluations of a broad range of methods, including: * Quantum Monte Carlo methods in chemistry * Monte Carlo methods for real-time path integration * The Redfield equation in condensed-phase quantum dynamics * Path-integral centroid methods in quantum statistical mechanics and dynamics * Multiconfigurational perturbation theory-applications in electronic spectroscopy * Electronic structure calculations for molecules containing transition metals * And more Contributors to New Methods in Computational Quantum Mechanics KERSTIN ANDERSSON, Department of Theoretical Chemistry, Chemical Center, Sweden DAVID M. CEPERLEY, National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Illinois MICHAEL A. COLLINS, Research School of Chemistry, Australian National University, Canberra, Australia REINHOLD EGGER, Fakultät für Physik, Universität Freiburg, Freiburg, Germany ANTHONY K. FELTS, Department of Chemistry, Columbia University, New York RICHARD A. FRIESNER, Department of Chemistry, Columbia University, New York MARKUS P. FÜLSCHER, Department of Theoretical Chemistry, Chemical Center, Sweden K. M. HO, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa C. H. MAK, Department of Chemistry, University of Southern California, Los Angeles, California PER-ÅKE Malmqvist, Department of Theoretical Chemistry, Chemical Center, Sweden MANUELA MERCHán, Departamento de Química Física, Universitat de Valéncia, Spain LUBOS MITAS, National Center for Supercomputing Applications and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Illinois STEFANO OSS, Dipartimento di Fisica, Università di Trento and Istituto Nazionale di Fisica della Materia, Unità di Trento, Italy KRISTINE PIERLOOT, Department of Chemistry, University of Leuven, Belgium W. THOMAS POLLARD, Department of Chemistry, Columbia University, New York BJÖRN O. ROOS, Department of Theoretical Chemistry, Chemical Center, Sweden LUIS SERRANO-ANDRÉS, Department of Theoretical Chemistry, Chemical Center, Sweden PER E. M. SIEGBAHN, Department of Physics, University of Stockholm, Stockholm, Sweden WALTER THIEL, Institut für Organische Chemie, Universität Zürich, Zürich, Switzerland GREGORY A. VOTH, Department of Chemistry, University of Pennsylvania, Pennsylvania C. Z. Wang, Ames Laboratory and Department of Physi
|Author||: Andrej Cherkaev|
|Publsiher||: Springer Science & Business Media|
|Total Pages||: 578|
Download Variational Methods for Structural Optimization Book in PDF, Epub and Kindle
This book bridges a gap between a rigorous mathematical approach to variational problems and the practical use of algorithms of structural optimization in engineering applications. The foundations of structural optimization are presented in sufficiently simple form as to make them available for practical use.
|Author||: Amir R. Khoei|
|Publsiher||: John Wiley & Sons|
|Total Pages||: 600|
Download Extended Finite Element Method Book in PDF, Epub and Kindle
Introduces the theory and applications of the extended finite element method (XFEM) in the linear and nonlinear problems of continua, structures and geomechanics Explores the concept of partition of unity, various enrichment functions, and fundamentals of XFEM formulation. Covers numerous applications of XFEM including fracture mechanics, large deformation, plasticity, multiphase flow, hydraulic fracturing and contact problems Accompanied by a website hosting source code and examples
|Author||: Oliver Johns|
|Publsiher||: OUP Oxford|
|Total Pages||: 653|
Download Analytical Mechanics for Relativity and Quantum Mechanics Book in PDF, Epub and Kindle
An innovative and mathematically sound treatment of the foundations of analytical mechanics and the relation of classical mechanics to relativity and quantum theory. It presents classical mechanics in a way designed to assist the student's transition to quantum theory.
|Author||: Bruno Després|
|Total Pages||: 349|
Download Numerical Methods for Eulerian and Lagrangian Conservation Laws Book in PDF, Epub and Kindle
This book focuses on the interplay between Eulerian and Lagrangian conservation laws for systems that admit physical motivation and originate from continuum mechanics. Ultimately, it highlights what is specific to and beneficial in the Lagrangian approach and its numerical methods. The two first chapters present a selection of well-known features of conservation laws and prepare readers for the subsequent chapters, which are dedicated to the analysis and discretization of Lagrangian systems. The text is at the frontier of applied mathematics and scientific computing and appeals to students and researchers interested in Lagrangian-based computational fluid dynamics. It also serves as an introduction to the recent corner-based Lagrangian finite volume techniques.
|Author||: Tayfun E. Tezduyar|
|Total Pages||: 480|
Download Frontiers in Computational Fluid Structure Interaction and Flow Simulation Book in PDF, Epub and Kindle
Computational fluid-structure interaction and flow simulation are challenging research areas that bring solution and analysis to many classes of problems in science, engineering, and technology. Young investigators under the age of 40 are conducting much of the frontier research in these areas, some of which is highlighted in this book. The first author of each chapter took the lead role in carrying out the research presented. The topics covered include Computational aerodynamic and FSI analysis of wind turbines, Simulating free-surface FSI and fatigue-damage in wind-turbine structural systems, Aorta flow analysis and heart valve flow and structure analysis, Interaction of multiphase fluids and solid structures, Computational analysis of tire aerodynamics with actual geometry and road contact, and A general-purpose NURBS mesh generation method for complex geometries. This book will be a valuable resource for early-career researchers and students — not only those interested in computational fluid-structure interaction and flow simulation, but also other fields of engineering and science, including fluid mechanics, solid mechanics and computational mathematics – as it will provide them with inspiration and guidance for conducting their own successful research. It will also be of interest to senior researchers looking to learn more about successful research led by those under 40 and possibly offer collaboration to these researchers.
|Author||: Leonardo Mazzini|
|Total Pages||: 363|
|Genre||: Technology & Engineering|
Download Flexible Spacecraft Dynamics Control and Guidance Book in PDF, Epub and Kindle
This book is an up-to-date compendium on spacecraft attitude and orbit control (AOC) that offers a systematic and complete treatment of the subject with the aim of imparting the theoretical and practical knowledge that is required by designers, engineers, and researchers. After an introduction on the kinematics of the flexible and agile space vehicles, the modern architecture and functions of an AOC system are described and the main AOC modes reviewed with possible design solutions and examples. The dynamics of the flexible body in space are then considered using an original Lagrangian approach suitable for the control applications of large space flexible structures. Subsequent chapters address optimal control theory, attitude control methods, and orbit control applications, including the optimal orbital transfer with finite and infinite thrust. The theory is integrated with a description of current propulsion systems, with the focus especially on the new electric propulsion systems and state of the art sensors and actuators.