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

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Erneuerbare Energien zur Stromerzeugung,ger equations, one key issue in molecular quantum dynamics is the choice of the 3.-6 internal nuclear coordinates, ., and the three Euler angles, ., introduced in Chap. .. . describe the shape of the molecule (the molecular geometry) and . parametrize the BF frame and thus the overall rotation of th

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https://doi.org/10.1007/978-3-322-91770-6 In the present chapter, we stay within the framework of the Born-Oppenheimer approximation but we consider transitions from the electronic ground state to another electronic state that is dissociative. In other words, the absorption of the electromagnetic energy of light, typically in the ultraviol

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https://doi.org/10.1007/978-3-658-12537-0erimental situation. The mathematical properties of the wavepackets allowed us to obtain absorption spectra and cross sections including all the quantum effect that can impact a molecular process. All the systems were assumed to be isolated and no quantum decoherence occurred during the propagations

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Fabien Gatti,Benjamin Lasorne,André NautsExplains Molecular Quantum Dynamics simulations in a self-contained way, offering instructions for example simulations.Supplemented by scripts and code available for download, with which the reader ca

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Lecture Notes in Chemistryhttp://image.papertrans.cn/a/image/159547.jpg

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https://doi.org/10.1007/978-3-642-57340-8The main goal of this book is to illustrate how the concept of a .becomes central in quantum mechanics when turning to concrete applications, for instance in molecular physics and chemistry. In other words, . here.

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