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Applications of Quantum Dynamics in Chemistry

Applications of Quantum Dynamics in Chemistry

Hardcover

Series: Lecture Notes in Chemistry, Book 98

ChemistryPhysics

ISBN10: 3319539213
ISBN13: 9783319539218
Publisher: Springer
Published: Sep 7 2017
Pages: 429
Weight: 1.76
Height: 1.00 Width: 6.14 Depth: 9.21
Language: English
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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Chemistry