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Polish Quantum Chemistry from Kołos to Now
Polish Quantum Chemistry from Kolos to Now, Volume 87 provides a survey of contributions coauthored by Polish scientists working in Poland, and in European and American Universities. Sections in this release include Review: From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment, Review: How to make symmetry-adapted perturbation theory more accurate, Review: Advanced models of coupled cluster theory for the ground, excited and ionized states, Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with...
Many-Body Methods in Chemistry and Physics
This book describes the mathematical and diagrammatic techniques employed in the popular many-body methods to determine molecular structure, properties and interactions.
Theory and Applications of Computational Chemistry
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subjec...
Pattern Formation and Dynamics in Nonequilibrium Systems
Many exciting frontiers of science and engineering require understanding the spatiotemporal properties of sustained nonequilibrium systems such as fluids, plasmas, reacting and diffusing chemicals, crystals solidifying from a melt, heart muscle, and networks of excitable neurons in brains. This introductory textbook for graduate students in biology, chemistry, engineering, mathematics, and physics provides a systematic account of the basic science common to these diverse areas. This book provides a careful pedagogical motivation of key concepts, discusses why diverse nonequilibrium systems often show similar patterns and dynamics, and gives a balanced discussion of the role of experiments, simulation, and analytics. It contains numerous worked examples and over 150 exercises. This book will also interest scientists who want to learn about the experiments, simulations, and theory that explain how complex patterns form in sustained nonequilibrium systems.
Cutting-Edge Technologies and Social Media Use in Higher Education
"This book brings together research on the multi-faceted nature and overarching impact of social technologies on the main opportunities and challenges facing today's post-secondary classrooms, from issues of social capital formation to student support and recruitment"--
Recent Progress in Coupled Cluster Methods
I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the...
Quantum Chemistry and Dynamics of Excited States
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 ex...
Electronic Structure Modeling
Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t
Social Media and Networking: Concepts, Methodologies, Tools, and Applications
In the digital era, users from around the world are constantly connected over a global network, where they have the ability to connect, share, and collaborate like never before. To make the most of this new environment, researchers and software developers must understand users’ needs and expectations. Social Media and Networking: Concepts, Methodologies, Tools, and Applications explores the burgeoning global community made possible by Web 2.0 technologies and a universal, interconnected society. With four volumes of chapters related to digital media, online engagement, and virtual environments, this multi-volume reference is an essential source for software developers, web designers, researchers, students, and IT specialists interested in the growing field of digital media and engagement. This four-volume reference includes various chapters covering topics related to Web 2.0, e-governance, social media activism, internet privacy, digital and virtual communities, e-business, customer relationship management, and more.
The Essential Med Notes
This text presents the most comprehensive resource available that focuses on exam preparation for the MCCQE Part 1 and the USMLE Step 2. Written in a concise, easy-to-read style, this annually revised text includes relevant clinical information on 29 medical subspecialties.
