Molecular Quantum Mechanics
Oxford University Press (Verlag)
978-0-19-927498-7 (ISBN)
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Supplementary resources Online Resource Centre, featuring: Illustrations available to download Solutions manual available to download [instructors only]
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
| Erscheint lt. Verlag | 23.12.2004 |
|---|---|
| Zusatzinfo | numerous text boxes and figures |
| Verlagsort | Oxford |
| Sprache | englisch |
| Maße | 188 x 246 mm |
| Gewicht | 1275 g |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Physik / Astronomie ► Theoretische Physik | |
| ISBN-10 | 0-19-927498-3 / 0199274983 |
| ISBN-13 | 978-0-19-927498-7 / 9780199274987 |
| Zustand | Neuware |
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