Molecular Dynamics

Part I - BASICS OF CLASSICAL MECHANICS.- Chapter 1: Principles of classical dynamics.- Chapter 2: Foundations of Newtonian dynamics.- Chapter 3: Many-particle systems.- Chapter 4: Mechanical descriptors.- Chapter 5: Rigid body.- Chapter 6: Analytical Mechanics.- Part 2 - BASICS OF QUANTUM MECHANICS.- Chapter 7: Wave-particle duality of matter.- Chapter 8: Quantization of the energy.- Chapter 9: Quantization of the angular momentum.- Chapter 10: Postulates of quantum mechanics.- Part 3 - FIRST-PRINCIPLES MOLECULAR DYNAMICS.- Chapter 11: Dynamics of electrons and nuclei.- Chapter 12: Classical limit of the nuclear motion.- Part 4 - CLASSICAL MOLECULAR DYNAMICS.- Chapter 13: Classical molecular dynamics.- Chapter 14: Extended systems.- Part 5: TIME EVOLUTION OPERATORS.- Chapter 15: Integrating the equations of motion.

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• Física Matemática
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