An Introduction to Quantum Mechanics in Chemistry

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9780138954918: An Introduction to Quantum Mechanics in Chemistry

For one-term, advanced undergraduate or beginning graduate level courses in Quantum Chemistry.

This textbook is designed to provide an integrated approach to the conceptual development of quantum chemistry and its application to current research questions involving molecular structure, energies, and spectra. Focusing on the language of quantum chemistry, the use of its most important tools, and overcoming mathematical impediments, the authors cover the field of chemical structure and properties in a modest and straightforward manner.

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Ratner, Mark A.; Schatz, George C.
Published by Prentice Hall (2000)
ISBN 10: 0138954917 ISBN 13: 9780138954918
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Book Description Prentice Hall, 2000. Book Condition: New. Brand New, Unread Copy in Perfect Condition. A+ Customer Service! Summary: 1. Introduction and Background to Quantum Mechanics. Aim of Theoretical Chemistry. Key Concepts from Classical Physics. Classical Mechanics. Classical Wave Theory. Early History of Quantum Mechanics. Particle Nature of Light. Wave Nature of Particles. Uncertainty Principle. Discovery of Quantum Mechanics. Concepts in Quantum Mechanics. 2. Quantum Theory. Postulates of Quantum Mechanics. Definitions of .Y and .Y2. Operators. Time-Dependent and Time-Independent Schrodinger Equations. Eigenvalues. Expectation Values. Properties of the Time-Independent Schrodinger Eigenfunctions. 3. Particle-in-Box Models. Particle in a One-Dimensional Box. Particle in a Two-Dimensional Box. Particle in a Three-Dimensional Box. Free-Electron Molecular Orbital Model. 4. Rigid-Rotor Models and Angular Momentum Eigenstates. Motions of a Diatomic Molecule: Separation of the Center of Mass. Rigid-Rotor Model in Two Dimensions. Three-Dimensional Rigid Rotor. Spherical Harmonics. Rotational Spectra. Angular Momentum. Dirac Notation. Raising and Lowering Angular-Momentum Operators. 5. Molecular Vibrations and Time-Independent Perturbation Theory. Diatomic Molecule Vibrations. Raising and Lowering Operators for the Harmonic Oscillator. Polyatomic Molecule Vibrations. Time-Independent Perturbation Theory. Examples. 6. The Hydrogen Atom. The Schrodinger Equation. Radial Solutions and Eigenvalues. Energy Eigenvalues; Spectroscopy of the H Atom. Properties of Hydrogen and Hydrogenlike Wavefunctions. Atomic Units. 7. The Helium Atom. Schrodinger Equation. Independent-Particle Model. The Variational Method. Better Wavefunctions. 8. Electron Spin and the Pauli Principle. Electron Spin. The Pauli Principle. He-Atom Wavefunctions, Including Spin. Excited State of He. Energies of He(1s2s) States. Interaction of Electron Spin with Magnetic Fields. EPR and NMR. 9. Many-Electron Atoms. Many-Electron Hamiltonian and Schrodinger Equation. Slater Determinants. Hartree Method. Hartree-Fock Method. Koopmans' Theorem. Electron Correlation. Constants of the Motion. Angular-Momentum Operators for Many-Electron Atoms. Relativistic Effects. 10. Homonuclear Diatomic Molecules. Hydrogen Molecular Ion: Born-Oppenheimer Approximation. LCAO-MO Treatment of H 2^+. Other H 2^+ States. Electronic Structure of Homonuclear Diatomics. Electronic Structure of H 2: Molecular Orbital and Valence Bond Wavefunctions. Improvements to MO and VB Results for H 2. 11.Ab Initioand Density Functional Methods. LCAO-MO-SCF Theory for Molecules. Atomic Orbitals. Hartree-Fock Calculations. Beyond Hartree-Fock. Density Functional Theory Methods. 12. Semiempirical Methods. Huckel Model. Extended Huckel Method. PPP Method. NDO Methods. 13. Applications of Group Theory. Group Theory for Point Groups. Applications of Group Theory to Molecular Quantum Mechanics. Symmetry Properties of Many-Electron Wavefunctions. Symmetry Properties of Molecular Vibrations. 14. Applications of Electronic Structure Theory. Potential-Energy Functions. Optimized Geometries and Frequencies. IR Spectra. Ba. Bookseller Inventory # ABE_book_new_0138954917

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Book Description Prentice Hall, 2000. Book Condition: New. Brand new! Please provide a physical shipping address. Bookseller Inventory # 9780138954918

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Book Description Pearson College Div, 2000. Hardcover. Book Condition: New. 19.05 x 24.76 cm. Our orders are sent from our warehouse locally or directly from our international distributors to allow us to offer you the best possible price and delivery time. Book. Bookseller Inventory # MM-21915125

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Book Description Prentice Hall, 2000. Paperback. Book Condition: Brand New. 1st edition. 305 pages. 9.75x7.50x0.75 inches. In Stock. Bookseller Inventory # 0138954917

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