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This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Die Terahertz-Technologie erschließt permanent neue Forschungsbereiche und wird auch vermehrt im kommerziellen Bereich eingesetzt. Diese Entwicklung wird in eigenen Analysen dargestellt. Als Kernaspekte dieses Buchs werden technologische Verbesserungen für gepulste Terahertz-Systeme und der spektroskopische Einsatz für die Polymeranalytik vorgestellt. Einen besonderen Stellenwert nehmen dabei Untersuchungen an Polymermischungen im Schmelzezustand während der Prozessierung ein. Bemerkenswert ist hierbei das temperaturabhängige Verhalten von verschiedensten Polyamiden. Die Änderung der optischen und spektroskopischen Eigenschaften und die Einflussfaktoren werden tiefergehend betrachtet. Dabei werden verschiedene klassische und neuere Experimentalmethoden, Modellierungen und quantenchemische Simulationsmethoden eingesetzt, um insbesondere die intermolekularen Wechselwirkungen aufzuklären.
This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
A rigorous, critical presentation of the mathematics of nonrelativistic quantum mechanics, this text is suitable for advanced undergraduate and graduate courses in functional analysis. Exercises, hints, solutions. 1981 edition.
This text on optics for graduate students explains how to determine material properties and parameters for inaccessible substrates and unknown films as well as how to measure extremely thin films. Its 14 case studies illustrate concepts and reinforce applications of ellipsometry — particularly in relation to the semiconductor industry and to studies involving corrosion and oxide growth. A User's Guide to Ellipsometry will enable readers to move beyond limited turn-key applications of ellipsometers. In addition to its comprehensive discussions of the measurement of film thickness and optical constants in film, it also considers the trajectories of the ellipsometric parameters Del and Psi and how changes in materials affect parameters. This volume also addresses the use of polysilicon, a material commonly employed in the microelectronics industry, and the effects of substrate roughness. Three appendices provide helpful references.
Self-contained, systematic introduction examines application of quantum electrodynamics to interpretation of optical experiments on atoms and molecules and explains the quantum theory of electromagnetic radiation and its interaction with matter.
An introductory course in theoretical physics is the sole prerequisite for this general but simple introduction to the fields of plasma and fusion research. 1962 edition.

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