1. komponenta

Lecture type	Total
Lectures	15
Exercises	15

* Load is given in academic hour (1 academic hour = 45 minutes)

Eigenstates of a free molecule, separation of electronic, vibrational and rotational states of free molecules. Eigenstates of electronic and nuclear spin. Spectroscopies of electronic transitions - UV/VIS, fluorescence, photoelectronic spectroscopy. Ground electronic state spectroscopies - vibrational spectroscopies, microwave spectroscopy. Electronic paramagnetic resonance specctroscopy. Nuclear magnetic resonance. Mass spectrometry.
Elements of quantum theory of molecules, Born-Oppenheimer approximation. Eigenstates of free molecules, separation of rotation from vibration for free molecules, band shape theory for liquids. Definition of moleuclar symmetry, point group, permutation-inversion group, crystal group. Vibrational normal mode analysis using internal coordinates. Inversion and ring puckering. Examples of flexible molecules - nitromethane, cyclobutane, ammonia. Raman and infrared spectroscopy, selection rules for observed modes. Vibrational spectroscopy of phase transitions, plastic and liquid molecular crystals. Numerical methods of calculating vibrations - programs Gaussian, Balga, Molvib for free molecules; Dftb+ for crystal vibrations. Molecular dynamics simulation methods and density of states calculation for disordered systems.

1. Molecular Physics, Theoretical Principles and Experimental Methods, This book contains description of electronic states of H2+ and H2 molecule; rotation, vibration and potential curves of diatomic molecules with spectra; molecular symmetry and group theory, Wolfgang Demtroder, Wiley VCH, 2005.
2. Modern Spectroscopy, J. M. Hollas: Modern spectroscopy, Wiley 2004, J. M. Hollas, Wiley, 2004.
3. Molecular Vibrations, indispensable book for anyone solving the vibrational problem of a molecule, E. B. Wilson, J. C. Decious, P. C. Cross, Dover Publications Inc. New York, 1955.
4. Introduction to Quantum Mechanics with Applications to Chemistry, fundamental textbook on Schroedinger equation solution for free molecules, Linus Pauling, E. Bright Wilson, Dover Pubications Inc, New York, 1963.
5. Basic Principles of Spectroscopy, excellent short textbook covering NMR, NQR, Moessbauer, EPR, microwave, infrared and Raman spectroscopy, electronic, photoluminescence, ORD and circular dichroism, photoelectron spectroscopy, Raymond Chang, International Student Edition, 1971.
6. Raman/infrared atlas of organic compounds, this is comprehensive atlas of vibrational spectra, Bernhard Schrader, VCH, 1989.
7. Introduction to MagneticResonance, Carrington, A. D. McLachlan: Introduction to MagneticResonance, Chapman&Hall 1983, A. Carrington, A. D. McLachlan, Chapman&Hall, 1983.
8. Spin Dynamics: Basics of Nuclear Magnetic Resonance, first few chapters are suitable introduction to nuclear magnetic resonance, M. H. Levitt, Wiley, 2008.
9. Molecular Symmetry and Spectroscopy, P. R. Bunker, Per Jensen: Molecular Symmetry and Spectroscopy, NRC Press Ottawa 1998, Philip R. Bunker,Per Jensen, National Research Council of Canada, 1998.
10. Vibrational states, this textbook explains in detail how to find redundant coordinates for cyclopropane, among other things, Salvatore Califano, Wiley, 1976.
11. Internal rotation and inversion, An introduction to large amplitude motions in molecules, D. G. Lister, J. N. MacDonald, N. L. Owen: Internal rotation and inversion, AcademicPress 1978., David G. Lister, John N. MacDonald, Noel l. Owen, Academic Press, 1978.
12. Disorder in Crystals, Chapters 9 and 10 cover disorder in molecular solids, Neville G. Parsonage, Lionel A. K. Stavely, Thomson Litho Ltd, East Kilbride, 1978.
13. Far-Infrared Spectroscopy, Chapter 7 is dedicated to skeletal modes of strained-ring systems; Chapter 8 is about torsional motions with periodic potential barriers, Karl Dieter Moeller, Walter G. Rotschield, John Wiley & Sons, 1971.
14. Vibration Spectra and Symmetry of Crystals, H. Poulet, J. P. Mathieu, Gordon and Breach, New York, London, Paris, 1976.

Atomska, molekulska i optička fizika - izborni predmeti - Regular study - Atomic, Molecular, and Optical Physics