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首页> 外文期刊>Chemical Physics Letters >QUANTUM MECHANICAL TREATMENT OF STATIONARY AND DYNAMICAL PROPERTIES OF BOUND VIBRATIONAL SYSTEMS - APPLICATION TO THE RELAXATION DYNAMICS OF AG-5 AFTER AN ELECTRON PHOTODETACHMENT
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QUANTUM MECHANICAL TREATMENT OF STATIONARY AND DYNAMICAL PROPERTIES OF BOUND VIBRATIONAL SYSTEMS - APPLICATION TO THE RELAXATION DYNAMICS OF AG-5 AFTER AN ELECTRON PHOTODETACHMENT

机译：有界振动系统的稳态和动力学性质的量子力学处理-在电子光分解后AG-5的弛豫动力学中的应用。

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摘要

An ab initio quantum mechanical approach for the calculation of stationary and dynamical properties of vibrational systems with up to 30 non-separable degrees of freedom is presented. The method is based on a representation of the Watson Hamiltonian in spaces spanned by harmonic-oscillator eigenfunctions. The applicability of the scheme is demonstrated by an investigation of the short-time vibrational relaxation following the photodetachment of one electron of a cold Ag-5(-) cluster. A pronounced energy flow into a particular vibrational mode is observed on a picosecond time scale. This indicates that a control of the nuclear motion, for instance by laser pulses, should in principle be possible for systems with a relatively large number of degrees of freedom. (C) 1997 Published by Elsevier Science B.V. [References: 36]
机译：提出了一种从头开始的量子力学方法，用于计算具有多达30个不可分离的自由度的振动系统的稳态和动力学特性。该方法基于谐波谐振子本征函数跨越的空间中的沃森哈密顿量表示。该方案的适用性通过研究冷的Ag-5（-）团簇中一个电子的光解离后的短时振动弛豫来证明。在皮秒级的时间范围内观察到明显的能量流进入特定的振动模式。这表明，对于具有相对较大数量的自由度的系统，原则上应该可以通过例如激光脉冲来控制核运动。 （C）1997年由Elsevier Science B.V.出版[参考文献：36]

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