Abstract
We investigate the possibilities of a new scheme in time dependent quantum molecular dynamics. It is based on the use of angular momentum projection as an alternative to frame transformation to account for the conservation of total angular momentum. The new methodology applies irrespective of the number of atoms involved and its computational cost scales favourably with particle number.
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© 1995 Springer Science+Business Media Dordrecht
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Lathouwers, L. (1995). Angular Momentum Projection in Quantum Molecular Dynamics. In: Yurtsever, E. (eds) Frontiers of Chemical Dynamics. NATO ASI Series, vol 470. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0345-9_15
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DOI: https://doi.org/10.1007/978-94-011-0345-9_15
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-4153-9
Online ISBN: 978-94-011-0345-9
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