Titlebook: Applications of Quantum Dynamics in Chemistry; Fabien Gatti,Benjamin Lasorne,André Nauts Book 2017 Springer International Publishing AG 20

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https://doi.org/10.1007/978-3-322-84192-6The present chapter is dedicated to the numerical methods for solving the time-dependent Schr?dinger equation for the nuclei.

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https://doi.org/10.1007/978-3-322-91770-6Molecular quantum dynamics has given rise to many ..

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The Kinetic Energy Operator in Curvilinear CoordinatesThe present chapter is intended as a rather in-depth introduction to the classical kinetic energy and the quantum kinetic energy operator for the nuclei, denoted . and ., respectively, in the following. The positions of the particles will be described by means of generalized curvilinear coordinates.

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Group Theory and Molecular SymmetryIn various chapters of this book, we have mentioned how a group-theoretical approach could be applied to . and help in the context of vibrational and vibronic problems.

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Infrared SpectroscopyMolecular quantum dynamics has given rise to many ..

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https://doi.org/10.1007/978-3-319-53923-2Chemistry in the Virtual Space; Femto- and Attosecond Chemistry and Spectroscopy; MCTDH; Molecular Dyna

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