期刊
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
卷 27, 期 3, 页码 507-539出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/01442350802102379
关键词
quantum dynamics; molecular reactive scattering; photodissociation; wavepackets
Quantum mechanical wavepacket treatments of reactive scattering and photodissociation dynamics are reviewed and discussed. Initially these treatments arose within a time-dependent framework, but as the cross sections of interest depend on energy rather than on time, it was realised that by Fourier transforming the basic equations over time an equivalent time-independent wavepacket methodology could be formulated. Other methods, namely the real wavepacket method and the polynomial propagation method were also developed. The review discusses all these methods and their relationship to each other. In the case of photodissociation, the real wavepacket method is clearly formulated for the first time.
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