Quantum Chemistry Workbook
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Author | : Charles S. Johnson |
Publisher | : Courier Corporation |
Total Pages | : 750 |
Release | : 2013-01-18 |
Genre | : Science |
ISBN | : 0486151530 |
Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.
Author | : Donald A Mcquarrie |
Publisher | : |
Total Pages | : |
Release | : 2007-01-01 |
Genre | : |
ISBN | : 9788176494236 |
Author | : Attila Szabo |
Publisher | : Courier Corporation |
Total Pages | : 484 |
Release | : 2012-06-08 |
Genre | : Science |
ISBN | : 0486134598 |
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.
Author | : George C. Schatz |
Publisher | : Courier Corporation |
Total Pages | : 386 |
Release | : 2012-04-30 |
Genre | : Science |
ISBN | : 0486136728 |
Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
Author | : Ajit Thakkar |
Publisher | : Morgan & Claypool Publishers |
Total Pages | : 134 |
Release | : 2017-10-03 |
Genre | : Science |
ISBN | : 1681746387 |
This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.
Author | : David B. Cook |
Publisher | : Courier Corporation |
Total Pages | : 852 |
Release | : 2005-08-02 |
Genre | : Science |
ISBN | : 0486443078 |
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.
Author | : Jay Martin Anderson |
Publisher | : Courier Corporation |
Total Pages | : 177 |
Release | : 2012-12-13 |
Genre | : Science |
ISBN | : 0486151484 |
Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
Author | : Linus Pauling |
Publisher | : Courier Corporation |
Total Pages | : 500 |
Release | : 2012-06-08 |
Genre | : Science |
ISBN | : 0486134938 |
Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
Author | : Ram Yatan Prasad |
Publisher | : CRC Press |
Total Pages | : 715 |
Release | : 2021-03-10 |
Genre | : Science |
ISBN | : 100034469X |
Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users. Features Includes comprehensive coverage of most essential basic concepts Achieves greater clarity with improved planning of topics and is reader-friendly Deals with the mathematical techniques which will help readers to more efficient problem solving Explains a structured approach for mathematical derivations A reference book for academicians and scientific investigators Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India. Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India.
Author | : Michael Springborg |
Publisher | : Walter de Gruyter GmbH & Co KG |
Total Pages | : 350 |
Release | : 2021-09-07 |
Genre | : Science |
ISBN | : 3110742233 |
This textbook introduces the reader to quantum theory and quantum chemistry. The textbook is meant for 2nd – 3rd year bachelor students of chemistry or physics, but also for students of related disciplines like materials science, pharmacy, and bioinformatics. At first, quantum theory is introduced, starting with experimental results that made it inevitable to go beyond classical physics. Subsequently, the Schrödinger equation is discussed in some detail. Some few examples for which the Schrödinger equation can be solved exactly are treated with special emphasis on relating the results to real systems and interpreting the mathematical results in terms of experimental observations. Ultimately, approximate methods are presented that are used when applying quantum theory in the field of quantum chemistry for the study of real systems like atoms, molecules, and crystals. Both the foundations for the different methods and a broader range of examples of their applications are presented. The textbook assumes no prior knowledge in quantum theory. Moreover, special emphasis is put on interpreting the mathematical results and less on an exact mathematical derivations of those. Finally, each chapter closes with a number of questions and exercises that help in focusing on the main results of the chapter. Many of the exercises include answers.