Electron Correlation in Molecules
Electron Correlation in Molecules

Author: S. Wilson

Publisher: Courier Corporation

Published: 2007-05-11

Total Pages: 305

ISBN-13: 0486458792

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This text addresses one of theoretical chemistry's central problems. Topics include molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, and related topics. 1984 edition.

Lecture Notes in Quantum Chemistry
Lecture Notes in Quantum Chemistry

Author: Björn O. Roos

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 417

ISBN-13: 3642581501

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"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj|rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method

Modern Quantum Chemistry
Modern Quantum Chemistry

Author: Attila Szabo

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 484

ISBN-13: 0486134598

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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Computational Chemistry
Computational Chemistry

Author: Errol Lewars

Publisher: Springer Science & Business Media

Published: 2003-03-31

Total Pages: 490

ISBN-13: 9781402074226

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Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. 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 Hückel 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.

Atomic and Molecular Spectroscopy
Atomic and Molecular Spectroscopy

Author: Sune Svanberg

Publisher: Springer Science & Business Media

Published: 2003-12-04

Total Pages: 616

ISBN-13: 9783540203827

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A wide-ranging review of modern spectroscopic techniques such as X-ray, photoelectron, optical and laser spectroscopy, and radiofrequency and microwave techniques. On the fundamental side the book focuses on physical principles and the impact of spectroscopy on our understanding of the building blocks of matter, while in the area of applications particular attention is given to those in chemical analysis, photochemistry, surface characterisation, environmental and medical diagnostics, remote sensing and astrophyscis. The Fourth Edition also provides the reader with an update on laser cooling and trapping, Bose-Einstein condensation, ultra-fast spectroscopy, high-power laser/matter interaction, satellite-based astronomy and spectroscopic aspects of laser medicine.

Chemical Modelling
Chemical Modelling

Author: Alan Hinchliffe

Publisher: Royal Society of Chemistry

Published: 2008

Total Pages: 489

ISBN-13: 0854042482

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Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.