Browsing Faculty of Arts and Sciences by Keyword "initial value problems"
Now showing items 1-2 of 2
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Fighting the Curse of Dimensionality in First-Principles Semiclassical Calculations: Non-Local Reference States for Large Number of Dimensions
(American Institute of Physics, 2011)Semiclassical methods face numerical challenges as the dimensionality of the system increases. In the general context of the theory of differential equations, this is known as the “curse of dimensionality.” In the present ... -
First Principles Semiclassical Calculations of Vibrational Eigenfunctions
(American Institute of Physics, 2011)Vibrational eigenfunctions are calculated on-the-fly using semiclassical methods in conjunction with ab initio density functional theory classical trajectories. Various semiclassical approximations based on the time-dependent ...