Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spi...

The aim of this two-volume title is to give a comprehensive review of one hundred years of development of general relativity and its scientific influences. This unique title provides a broad introduction and review to the fascinating and profound subject of general relativity, its historical development, its important theoretical consequences, gravitational wave detection and applications to astrophysics and cosmology. The series focuses on five aspects of the theory: The first three topic...

Unique in that it is jointly written by an experimentalist and a theorist, this monograph presents universal quantum computation based on quantum teleportation as an elementary subroutine and multi-party entanglement as a universal resource. Optical approaches to measurement-based quantum computation are also described, including schemes for quantum error correction, with most of the experiments carried out by the authors themselves.Ranging from the theoretical background to the det...

The Finite Element Method for Solid and Structural Mechanics is the key text and reference for engineers, researchers and senior students dealing with the analysis and modeling of structures, from large civil engineering projects such as dams to aircraft structures and small engineered components. This edition brings a thorough update and rearrangement of the book's content, including new chapters on: - Material constitution using representative volume elements - Differential geometry and ...

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

This advanced text presents a unique approach to studying transport phenomena. Bringing together concepts from both chemical engineering and physics, it makes extensive use of nonequilibrium thermodynamics, discusses kinetic theory, and sets out the tools needed to describe the physics of interfaces and boundaries. More traditional topics such as diffusive and convective transport of momentum, energy and mass are also covered. This is an ideal text for advanced courses in transport phenome...

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:Polarizable force fieldsTight-binding DFTMore extensive DFT functionals, excited sta...

Combining previously unconnected computational methods, this monograph discusses the latest basic schemes and algorithms for the solution of fluid, heat and mass transfer problems coupled with electrodynamics. It presents the necessary mathematical background of computational thermo-fluid dynamics, the numerical implementation and the application to real-world problems. Particular emphasis is placed throughout on the use of electromagnetic fields to control the heat, mass and fluid flows i...

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summar...

Examines the intersection of quantum information and chemical physicsThe Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics.Thi...

Going beyond standard introductory texts, Mathematical Optics: Classical, Quantum, and Computational Methods brings together many new mathematical techniques from optical science and engineering research. Profusely illustrated, the book makes the material accessible to students and newcomers to the field.Divided into six parts, the text presents state-of-the-art mathematical methods and applications in classical optics, quantum optics, and image processing.

Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large sc...