Quassi classical trajectory

A time-independent quantum mechanical study by Engel and coworkers (1985) gave qualitatively the same results as the time dependent analog and the quassi classical trajectory method. A quantum theory for probing transition-state absorption/emission has also been developed by Lee et al. (1989). 

Eyring and Polanyi, and Eyring and Hershfeld tried to calculate the representative trajectories on PES for the H + H2 —> H2 + H reaction but could not succeed due to lack of computational facility at that time. In the early sixties, three different research groups led by Bunker, Karplus and Polanyi developed the quassi-classical trajectory (QCT) approach, which has been proven successful except under circumstances where the quantum mechanical effects like tunneling and resonance are important. 

---

See also in sourсe #XX -- [ , , ]

---