Introduction to Ab Initio Molecular Dynamics
by Juerg Hutter
Publisher: University of Zurich 2002
Number of pages: 120
The aim of molecular dynamics is to model the detailed microscopic dynamical behavior of many different types of systems as found in chemistry, physics or biology. Molecular dynamics is a technique to investigate equilibrium and transport properties of many–body systems.
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by Per Kristen Jakobsen - arXiv.org
These notes introduce some of the basic mathematical and physical tools necessary for theoretical investigations into the thermodynamics properties of light in cavities. It will also be useful for the research teams entering this field of science.
by Peter Hertel - University of Osnabrueck, Germany
Contents: Maxwell equations; A simple model; Thermodynamic equilibrium; Perturbing the equilibrium; Dielectric susceptibility; Dispersion relations; Dissipation-fluctuation theorem; Onsager relations; Electro- and magnetooptic effects; etc.
by R. Victor Jones - Harvard University
Theoretical background needed to understand developments in optical research and photonic technology. Topics presented include wave propagation in anisotropic media; interaction of light with matter; quantization of the radiation field; etc.
by Wim Ubachs - Vrije Universiteit Amsterdam
From the table of contents: Introduction; Energy levels in molecules -- the quantum structure; Transitions between quantum states; High vibrational levels in the WKB-approximation; Electronic states; Open Shell Molecules.