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dc.creatorHalverson, Thomasen_US
dc.creatorPoirier, Billen_US
dc.date.accessioned2013-07-16T21:34:53Z
dc.date.available2013-07-16T21:34:53Z
dc.date.issued2013en_US
dc.identifier2013-RG-11en_US
dc.identifier.urihttp://hdl.handle.net/1811/55225
dc.descriptionAuthor Institution: Department of Chemistry and Biochemistry, and Department of Physics, Texas Tech University, P.O. Box 41061, Lubbock TX, USAen_US
dc.description.abstractIn a series of earlier papers, the authors introduced the first exact quantum dynamics method that defeats the exponential scaling of CPU effort with system dimensionality. The method used a "weylet'' basis set (orthogonalized Weyl-Heisenberg wavelets), combined with a phase space truncation scheme first proposed by M. Davis and E. Heller. Here, we use a related, but much simpler, wavelet basis consisting of momentum-symmetrized phase space Gaussians. Despite being non-orthogonal, symmetrized Gaussians exhibit collective locality, allowing for effective phase space truncation and the defeat of exponential scaling. A "universal'' and remarkably simple code has been written, which is dimensionally independent, and which also exploits massively parallel algorithms. The codes have been used to calculate the vibrational spectra of several molecules of varying dimensionality.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleEXACT QUANTUM DYNAMICS CALCULATIONS USING PHASE SPACE WAVELETSen_US
dc.typeArticleen_US
dc.typeImageen_US
dc.typePresentationen_US


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