Semiclassical initial value treatment of correlation functions

Ternira Sklarz, K. G. Kay

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


The study of two, semiclassical initial value representation (IVR) treatments of correlation functions describing an arbitrary, integrable, vibrational system was presented. The understudied correlation functions were the energy eigenfunctions of a 'zero order' Hamiltonian. The approximations described the correlation functions both as an integral over full phase space (FPS) variables and over half phase space (HPS) variables. The study found that the HPS method required far fewer trajectories to achieve convergence, with the slow increase in this number as the increase in system size offering promise for the HPS treatment of large systems.

Original languageEnglish
Pages (from-to)2606-2617
Number of pages12
JournalJournal of Chemical Physics
Issue number6
StatePublished - 8 Feb 2004


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