A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2007; you can also visit the original URL.
The file type is application/pdf
.
Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels
2003
Journal of Chemical Physics
An application of the initial value representation ͑IVR͒ of semiclassical ͑SC͒ theory to approximate the quantum mechanical time evolution operator, exp͓ϪiH ˆt/ប͔, requires an integral over the phase space of initial conditions of classical trajectories. The integrand of this integral is complex, i.e., has a phase, from which quantum coherence ͑in fact, all quantum͒ effects arise, but which also makes SC-IVR calculations more difficult than ordinary classical molecular dynamics simulations ͑the
doi:10.1063/1.1562158
fatcat:xjcpvndyobfsthm4wau4j2fhx4