Semiclassical initial value approximation for Green's function

Kenneth G. Kay

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A semiclassical initial value approximation is obtained for the energy-dependent Green's function. For a system with f degrees of freedom the Green's function expression has the form of a (2f-1) -dimensional integral over points on the energy surface and an integral over time along classical trajectories initiated from these points. This approximation is derived by requiring an integral ansatz for Green's function to reduce to Gutzwiller's semiclassical formula when the integrations are performed by the stationary phase method. A simpler approximation is also derived involving only an (f-1) -dimensional integral over momentum variables on a Poincaŕ surface and an integral over time. The relationship between the present expressions and an earlier initial value approximation for energy eigenfunctions is explored. Numerical tests for two-dimensional systems indicate that good accuracy can be obtained from the initial value Green's function for calculations of autocorrelation spectra and time-independent wave functions. The relative advantages of initial value approximations for the energy-dependent Green's function and the time-dependent propagator are discussed.

Original languageEnglish
Article number244110
JournalJournal of Chemical Physics
Issue number24
StatePublished - 28 Jun 2010

Bibliographical note

Funding Information:
This work was funded by the Israel Science Foundation (Grant No. 384/07).


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