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Author: Linus Pauling
Publisher: Courier Corporation
Published: 2012-06-08
Total Pages: 500
ISBN-13: 0486134938
DOWNLOAD EBOOKClassic 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: Attila Szabo
Publisher: Courier Corporation
Published: 2012-06-08
Total Pages: 484
ISBN-13: 0486134598
DOWNLOAD EBOOKThis 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: David J. Griffiths
Publisher: Cambridge University Press
Published: 2019-11-20
Total Pages: 512
ISBN-13: 1108103146
DOWNLOAD EBOOKChanges and additions to the new edition of this classic textbook include a new chapter on symmetries, new problems and examples, improved explanations, more numerical problems to be worked on a computer, new applications to solid state physics, and consolidated treatment of time-dependent potentials.
Author: Frank Jensen
Publisher: John Wiley & Sons
Published: 2016-12-14
Total Pages: 1056
ISBN-13: 1118825950
DOWNLOAD EBOOKIntroduction 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 fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Author: Donald A Mcquarrie
Publisher:
Published: 2007-01-01
Total Pages:
ISBN-13: 9788176494236
DOWNLOAD EBOOKAuthor: David B. Cook
Publisher: Courier Corporation
Published: 2005-08-02
Total Pages: 852
ISBN-13: 0486443078
DOWNLOAD EBOOKThis 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: S.M. Blinder
Publisher: Academic Press
Published: 2020-10-09
Total Pages: 436
ISBN-13: 0128223111
DOWNLOAD EBOOKIntroduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers Presents additional problems and exercises to further support learning
Author: Hermann Haken
Publisher: Springer Science & Business Media
Published: 2013-03-09
Total Pages: 412
ISBN-13: 3662030756
DOWNLOAD EBOOKThis textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.
Author: Mark A. Ratner
Publisher: Pearson
Published: 2001
Total Pages: 328
ISBN-13:
DOWNLOAD EBOOKThis book serves as a self-study guide to familiarize users with the crucial language of modern chemistry science. It provides a background of electronic structure programs, and includes worked examples in problem solving and computer exercises. For computational chemists, materials scientists, and chemical engineers who want to learn more about their field without unnecessary complexity, detail, or formalism.
Author: Errol G. Lewars
Publisher: Springer Science & Business Media
Published: 2007-05-08
Total Pages: 474
ISBN-13: 0306483912
DOWNLOAD EBOOKComputational 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.
