Quantum Chemistry

Inbunden, Engelska, 2005

1 509 kr

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Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.

Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems
Provides thorough treatment of the simple systems basic to this subject
Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry
Treats MO theory from simple Huckel through ab intio methods in current use
Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules
Presents group theory in a context of MO applications
Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions
Develops MO theory of periodic systems, with applications to organic polymers.

Produktinformation

Utgivningsdatum2005-10-27
Mått184 x 260 x undefined mm
Vikt1 450 g
FormatInbunden
SpråkEngelska
Antal sidor728
Upplaga3
FörlagElsevier Science
ISBN9780124575516

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Fysikalisk kemi inom Naturvetenskap och teknik

DedicationTHE MOLECULAR CHALLENGEPreface to the Third EditionPreface to the Second EditionPreface to the First EditionChapter 1: Classical Waves and the Time-Independent Schrödinger Wave EquationChapter 2: Quantum Mechanics of Some Simple SystemsChapter 3: The One-Dimensional Harmonic OscillatorChapter 4: The Hydrogenlike Ion, Angular Momentum, and the Rigid RotorChapter 5: Many-Electron AtomsChapter 6: Postulates and Theorems of Quantum MechanicsChapter 7: The Variation MethodChapter 8: The Simple Hückel Method and ApplicationsChapter 9: Matrix Formulation of the Linear Variation MethodChapter 10: The Extended Hückel MethodChapter 11: The SCF-LCAO-MO Method and ExtensionsChapter 12: Time-Independent Rayleigh–Schrödinger Perturbation TheoryChapter 13: Group TheoryChapter 14: Qualitative Molecular Orbital TheoryChapter 15: Molecular Orbital Theory of Periodic SystemsAppendix 1: Useful IntegralsAppendix 2: DeterminantsAppendix 3: Evaluation of the Coulomb Repulsion Integral Over 1s AOsAppendix 4: Angular Momentum RulesAppendix 5: The Pairing TheoremAppendix 6: Hückel Molecular Orbital Energies, Coefficients, Electron Densities, and Bond Orders for Some Simple MoleculesAppendix 7: Derivation of the Hartree–Fock EquationAppendix 8: The Virial Theorem for Atoms and Diatomic MoleculesAppendix 9: Bra-ket NotationAppendix 10: Values of Some Useful Constants and Conversion FactorsAppendix 11: Group Theoretical Charts and TablesAppendix 12: Hints for Solving Selected ProblemsAppendix 13: Answers to ProblemsIndex

"This new edition is based closely on the already outstanding second edition, with the addition of a co-author and appropriate updating, reworking, and elaboration of the material. The overall quality of this book is on par with the excellent work by Ira N. Leveine, Quantum Chemistry (5th ed., 2000). The authors aim at conceptual understanding as well as mathematical development. The book includes a large and varied set of homework problems, together with hints and brief solutions. A distinctive feature is the inclusion of some multiple-choice questions. Generous numbers of more traditional problems are provided as well. Summing Up: Highly recommended. Upper-division undergraduates through professionals. " --A. Viste, emeritus, Augustana College, CHOICE, September 2006, Vol. 44, No. 1 "The book is very well written and in contrast to many other texts it focuses on the understanding of the concepts. This should provide the reader the knowledge to evaluate the various computation methods, and to make informed choices about specific quantum chemical methods for a given problem. Another attractive feature of this book are the end of chapter problems. In summary, this is an excellent text for a graduate level introduction to quantum chemistry and every teacher of these types of classes should give this text serious consideration." --S. Saebo, Mississippi State University, Starkville, MS, USA, STRUCT CHEM (2006)