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Molecular quantum mechanics

Author: P W Atkins; R S Friedman
Publisher: Oxford : Oxford University Press, 2004.
Edition/Format:   Print book : English : 4th edView all editions and formats
Database:WorldCat
Summary:

Quantum mechanics embraces the behaviour of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us  Read more...

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Document Type: Book
All Authors / Contributors: P W Atkins; R S Friedman
ISBN: 0199274983 9780199274987
OCLC Number: 57529446
Notes: Previous edition: 1996.
Description: xiv, 573 pages : illustrations ; 25 cm
Contents: INTRODUCTION AND ORIENTATION; 1. THE FOUNDATIONS OF QUANTUM MECHANICS; Operators in quantum mechanics; The postulates of quantum mechanics; The specification of evolution of states; Matrices in quantum mechanics; The plausibility of the schrodinger equation; Exercises; 2. LINEAR MOTION AND THE HARMONIC OSCILLATOR; The characteristics of acceptable wave functions; Some general remarks on the schrodinger equation; Translational motion; Penetration into and through barriers; Place in a box; The harmonic oscillator; Translation revisted: the scattering matrix; 3. ROTATIONAL MOTION AND THE HYDROGEN ATOM; Particle on a ring; Particle on a sphere; Particle in a coulombic field; 4. ANGULAR MOMENTUM; The angular momentum operators; The definition of the states; The angular momenta of composite systems; Problems; 5. GROUP THEORY; The Symmetries of objects; The calculus of symmetry; Reduced representations; The symmetry properties of functions; The full rotation group; Applications; 6. TECHNIQUES OF APPROXIMATION; Time-independent perturbation theory; Variation theory; The Hellmann-Feynman theorem; Time-dependent perturbation theory; 7. ATOMIC SPECTRA AND ATOMIC STRUCTURE; The spectrum of atomic hydrogen; The structure of helium; Many-electron atoms; Atoms in external fields; 8. AN INTRODUCTION TO MOLECULAR STRUCTURE; The born-oppenheimer approximation; Molecular orbital theory; Molecular orbital theory of polyatomic molecules; The band theory of solids; 9. THE CALCULATIONS OF ELECTRONIC STRUCTURE; The Hartree-Fock Self-consistent field method; Electron correlation; Density Functional Theory; Gradient Methods and Molecular Properties; Semiempirical methods; Molecular mechanics; Software packages for electronic structure calculations; Problems; 10 MOLECULAR ROTATIONS AND VIBRATIONS; Spectroscopic transitions; Molecular rotation; The vibrations of diatomic molecules; The vibrations of polyatomic molecules; Appendix: Centrifugal distortion; 11. MOLECULAR ELECTRONIC TRANSITIONS; The states of diatomic molecules; Vibronic transitions; The electronic spectra of polyatomic molecules; The fates of excited species; 12. THE ELECTRIC PROPERTIES OF MOLECULES; The response to electric fields; Bulk electrical properties; Optical activity; 13.THE MAGNETIC PROPERTIES OF MOLECULES; The descriptions of magnetic fields; Magnetic Perturbations; Magnetic Resonance Parameters; 14. SCATTERING THEORY; The formulation of scattering events; Partical-wave stationary scattering states; Multichannel scattering
Responsibility: Peter W. Atkins, Ronald S. Friedman.
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