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|Title:||Theory of multidimensional wavepacket propagation|
|Citation:||Lee, S.-Y. (1986-10-15). Theory of multidimensional wavepacket propagation. Chemical Physics 108 (3) : 451-459. ScholarBank@NUS Repository.|
|Abstract:||Ehrenfest's theorem implies that a gaussian remains a gaussian when propagated in a general (time-dependent and multidimensional) harmonic potential. We shall prove that the statement remains true with the replacement of a gaussian with a harmonic oscillator. For the one-dimensional case, this is implicit in the work of Meyer. Here, we prove it more generally for the multidimensional case. A complete, orthonormal, evolving basis of harmonic oscillator wavefunctions can then be constructed by using a local, time-dependent, harmonic approximation to the potential. An evolving wavepacket in the actual potential can be expanded in the basis set, and the coefficients of the expansion obey a set of coupled, linear, first-order differential equations. The theory has practical applications for processes such as Raman scattering, photodissociation, and other time-dependent processes that can benefit from multidimensional wavepacket propagation. © 1986.|
|Source Title:||Chemical Physics|
|Appears in Collections:||Staff Publications|
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