Nearly real trajectories in complex semiclassical dynamics

被引:0
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作者
Van Voorhis, Troy [1 ]
Heller, Eric J. [1 ]
机构
[1] Dept. of Chem. and Chemical Biology, Department of Physics, Harvard University, Cambridge, MA 02138, United States
关键词
Autocorrelation function - Photodissociation spectrum - Quantum dynamics - Quantum propagator - Quartic anharmonic oscillator - Semiclassical propagator;
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摘要
The possibility that the dominant contributions by themselves may give a faithful representation of the true result was examined. As such, calculations of the auto-correlation function of the quartic anharmonic oscillator and the photodissociation of CO2, which show that including only the nearly real trajectories can give excellent results for realistic potentials were given. The use of only nearly real paths was particularly appealing because it allows one to overcome both of the major obstacles that have heretofore limited complex semiclassical approaches.
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页码:1 / 050501
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