Font Size: a A A

F + H <sub> 2 </ Sub> Reactive Scattering Of Time-dependent Quantum Dynamics Study

Posted on:2001-01-12Degree:MasterType:Thesis
Country:ChinaCandidate:H Y ZhangFull Text:PDF
GTID:2191360002452187Subject:Atomic and molecular physics
Abstract/Summary:PDF Full Text Request
Recently, tremendous progress has been made in the treatment of three-dimensional gas phase atom-diatom quantum reactive scattering. It is now possible to obtain converged quantum mechanical reaction probabilities in full 3-D for a variety of gas phase atom-diatom reactive systems. Up to now, most 3-D reactive scattering calculations have been done on using a variety of time- independent methods. There has, also, been important progress in the adaptation of time-dependent wave packet methods for 3-D quantum reactive scattering. Especially in the last few years, time-dependent wave packet methods have gained considerable importance as tools for probing surface and inelastic scattering and photodissociation processes. The time-dependent method has some powerful advantages [Computer Physics Communications 63(1991) 460-481]. First, it is an initial value problem, [Y(t) exp(Ht)Y(t = 0)] so that all numerical effort is concentrated on specific initial state of interest. The effort of calculating is especially smaller than that of time- independent method. The calculation quantity of time-independent method scales as N3 with N being the basis number, while the time- dependent method scales as N (1
Keywords/Search Tags:Time-dependent
PDF Full Text Request
Related items