期刊
JOURNAL OF CHEMICAL PHYSICS
卷 119, 期 11, 页码 5364-5378出版社
AMER INST PHYSICS
DOI: 10.1063/1.1599275
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The quantum dynamics of an anharmonic oscillator coupled to a bath of up to 60 harmonic oscillators is investigated by a new multiconfigurational hybrid method for wave packet propagation. The method, originally proposed in [Burghardt, Meyer, and Cederbaum, J. Chem. Phys. 111, 2927 (1999)], represents a variant of the multiconfiguration time-dependent Hartree method including a moving basis of Gaussian functions. Energy relaxation and quantum decoherence induced by the zero-temperature oscillator bath are shown to be accurately described by the new method. Decoherence rates for a bath with a discretized ohmic spectral density are found to be consistent with golden-rule predictions for T=0. (C) 2003 American Institute of Physics.
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