Applications of Quantum Dynamics in Chemistry

Part I Introduction.- Part II Concepts and Methods: Quantum effects.- Electronic states and potential energy operators.- The Choice of coordinates.- Kinetic energy operators.- Introduction to molecular symmetry.- Introduction to numerical methods and to MCTDH.- Part III Applications: Infrared spectroscopy.- Quantum control with laser pulses in the electronic ground state.- Photodissociation spectra.- Cross sections for reactive scattering.- Quantum control with laser pulses for electronically excited states.- Non-adiabatic photochemistry.- Optimal control and quantum computers.- Part IV Conclusion.

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• Química quântica e teórica
• Química física
• A física quântica (mecânica quântica e teoria quântica de campos)

Chemistry in the Virtual Space;Femto- and Attosecond Chemistry and Spectroscopy;MCTDH;Molecular Dynamics Simulations;Molecular Quantum Dynamics;Multi Configuration Time Dependent Hartree (MCTDH);Multidimensional Quantum Dynamics;Quantum Coherence and Decoherence;Quantum Computing;Quantum Effects in Molecular Systems;Quantum Mechanical Treatment of the Nuclei;Time-dependent Quantum Mechanics;Tunneling Effects in Physics and Chemistry