Browsing Duke Faculty Scholarship by Subject "quantum scattering"

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Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H-2 including the open-shell character of the Cl atom

Sun, Zhigang (AMER INST PHYSICS, 2010)

We describe a time-dependent wavepacket based method for the calculation of the state-to-state cross sections for the Cl+H-2 reaction including all couplings arising from the nonzero spin and electronic orbital angular ...