An adaptive pseudospectral method for wave packet dynamics
نویسندگان
چکیده
منابع مشابه
An adaptive pseudospectral method for wave packet dynamics.
We solve the time-dependent Schrödinger equation for molecular dynamics using a pseudospectral method with global, exponentially decaying, Hagedorn basis functions. The approximation properties of the Hagedorn basis depend strongly on the scaling of the spatial coordinates. Using results from control theory we develop a time-dependent scaling which adaptively matches the basis to the wave packe...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4737893