Applications of Quantum Dynamics in Chemistry

• Κύριοι συγγραφείς: Gatti, Fabien (Συγγραφέας), Lasorne, Benjamin (Συγγραφέας), Meyer, Hans-Dieter (Συγγραφέας), Nauts, André (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Σειρά: Lecture Notes in Chemistry, 98
• Θέματα: Chemistry.; Chemoinformatics.; Chemometrics.; Chemistry, Physical and theoretical.; Quantum physics.; Theoretical and Computational Chemistry.; Quantum Physics.; Computer Applications in Chemistry.; Math. Applications in Chemistry.

This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theor...

Πίνακας περιεχομένων:

• 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.