2014
DOI: 10.1063/1.4901301
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Communication: HK propagator uniformized along a one-dimensional manifold in weakly anharmonic systems

Abstract: A simplification of the Heller-Herman-Kluk-Kay (HK) propagator is presented that does not suffer from the need for an increasing number of trajectories with dimensions of the system under study. This is accomplished by replacing HK’s uniformizing integral over all of phase space by a one-dimensional curve that is appropriately selected to lie along the fastest growing manifold of a defining trajectory. It is shown that this modification leads to eigenspectra of quantum states in weakly anharmonic systems that … Show more

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Cited by 7 publications
(5 citation statements)
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“…Certain directions lead to maximal exploration, whereas others lead to none. Identifying the relevant directions allows one to reduce greatly the dimensionality of the search space, in fact to just a few dimensions [50][51][52].…”
mentioning
confidence: 99%
“…Certain directions lead to maximal exploration, whereas others lead to none. Identifying the relevant directions allows one to reduce greatly the dimensionality of the search space, in fact to just a few dimensions [50][51][52].…”
mentioning
confidence: 99%
“…applying a Metropolis algorithm for the mean variable integral [3]). Most recent success in improving the convergence of SC calculations has been reported in a study that employs a sampling along the fastest growing manifold of a defining trajectory [31]. For the first account of the new methodology presented here we have not tried to optimize the numerical details, however.…”
Section: Numerical Resultsmentioning
confidence: 99%
“…Semiclassical methods based on classical mechanics are a natural choice as they can capture quantum behavior while providing an intuitive picture of the system. Moreover, incrementally adding additional quantum features (for instance, different orders of expansions of the semiclassical propagator [33]) to these approximations can provide insight into which effects are indeed quantum mechanical and which are artifacts of classical mechanics.…”
Section: A Semiclassical Modelsmentioning
confidence: 99%