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Monte Carlo Methods in Ab Initio Quantum Chemistry
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: Clear exposition of the basic theory at a level to facilitate independent study.Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release node Monte Carlo.Commentary on the important features that distinguish this stochastic approach from ab initio methods. Contents:Introduction to Monte Carlo MethodsVariational MethodsGreen's Function MethodsTreating FermionsVariational Trial FunctionsExcited StatesElectronic PropertiesDerivatives and Finite DifferencesHeavy AtomsAtomic UnitsEvaluating the Trial FunctionSample Diffusion Monte Carlo Program Readership: Chemists and physicists.
Recent Advances In Quantum Monte Carlo Methods
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 Schrödinger 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.
Recent Advances in Quantum Monte Carlo Methods
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.
Dimension X
Author and paranormal scholar Dr. William A. Lester, Jr. has returned with another fascinating presentation of the bizarre and unexplained. In this new, groundbreaking work, the reader will explore such intriguing questions such as: What biblical passages refer to alien visitations? Why are some scientists now sure that time travel is possible? Are there dinosaurs living in isolated regions of the world today? How did one family survive one of the most terrifying hauntings on record? What is a Skin Walker? What was President Kennedys connection to UFOs?
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Transforming Disaster Response
Much of the published work on disaster response has focused on specific disasters, highlighting what went wrong. Taking a new approach, this book explores ways in which transformational leadership principles may be applied to an organization’s disaster preparation and response, moving the organization away from a competitive or top-down approach and toward a more collaborative one. Rather than focus on centralizing responsibility, with commands emanating from the top, author William Lester offers readers a new paradigm, with step by step instructions on placing transformative and collaborative systems front and center, in order to develop a sustainable disaster response system – one that...
