Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree-Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett-Pauli corrections for relativistic effects) and deta...

This book is intended to give technological background and practical examples, but also to give general insight into the on-going technology development in the area of biodetection. The content is therefore suitable for an array of stakeholders (decision makers, purchasing officers, etc.) and end-users of biodetection equipment within the areas of health, environment, safety and security, and military preparation. The book is divided into three sections. The first section discusses the fun...

In my first book, 'Prime Theory', I gave a full explanation over space, time, matter and all of nature's fundamental forces. As this theory has considerably shifted the paradigm of modern physics, new laws are to be written and some of the old ones would have to be reformulated. The principles of relativity, which no longer assure an accurate description of the physical world, will now have to change. My new book, 'The Universe', is about how the absoluteness and relativeness are born from...

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry.Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutionsTakes a hands-on approach, using state of the art software packages ...

SERS was discovered in the 1970s and has since grown enormously in breadth, depth, and understanding. One of the major characteristics of SERS is its interdisciplinary nature: it lies at the boundary between physics, chemistry, colloid science, plasmonics, nanotechnology, and biology. By their very nature, it is impossible to find a textbook that will summarize the principles needed for SERS of these rather dissimilar and disconnected topics. Although a basic understanding of these topics ...

There has been growing interest in the model of semiconductor lasers with non-Markovian relaxation. Introducing senior and graduate students and research scientists to quantum mechanics concepts, which are becoming an essential tool in modern engineering, Engineering Quantum Mechanics develops a non-Markovian model for the optical gain of semiconductor, taking into account the rigorous electronic band-structure and the non-Markovian relaxation using the quantum statistical reduced...

Building up gradually from first principles, this unique introduction to modern thermodynamics integrates classical, statistical and molecular approaches and is especially designed to support students studying chemical and biochemical engineering. In addition to covering traditional problems in engineering thermodynamics in the context of biology and materials chemistry, students are also introduced to the thermodynamics of DNA, proteins, polymers and surfaces. It includes over 80 detailed...

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. - Provides tools to develop skills in developing simulations programs - Includes sample simulation programs for the reader to use - Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Physical metallurgy is one of the main fields of metallurgical science dealing with the development of the microstructure of metals in order to achieve desirable properties required in technological applications. Physical Metallurgy: Principles and Design focuses on the processing–structure–properties triangle as it applies to metals and alloys. It introduces the fundamental principles of physical metallurgy and the design methodologies for alloys and processing. The first...

X-ray absorption fine structure spectroscopy (XAFS) is a powerful and versatile technique for studying structures of materials in chemistry, physics, biology and other fields. This textbook is a comprehensive, practical guide to carrying out and interpreting XAFS experiments. Assuming only undergraduate-level physics and mathematics, the textbook is ideally suited for graduate students in physics and chemistry starting XAFS-based research. It contains concise executable example programs in...

This book provides a self-contained undergraduate course on quantum computing based on classroom-tested lecture notes. It reviews the fundamentals of quantum mechanics from the double-slit experiment to entanglement, before progressing to the basics of qubits, quantum gates, quantum circuits, quantum key distribution, and some of the famous quantum algorithms. As well as covering quantum gates in depth, it also describes promising platforms for their physical implementation, along with err...

This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and micro-electrodes are examined and the simulation of both diffusion-only and diffusion-convection processes are addressed. The simulation of processes with coupled homogeneous kinetics and at microelectrode arrays are further discussed. Over the course of the book the reader's understanding is developed to t...