In what follows we present some QCT movies

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Presentation transcript:

In what follows we present some QCT movies In what follows we present some QCT movies. The left hand side shows the trajectory as function of two bond distances (bond angle fixed). The right hand side shows the trajectory as a Cartesian plot in a space-fixed frame centered on the center-of-mass of the D2 molecule. Please note that in each case the D-D bond is not compressed by the incoming H atom; instead, it is extended. In some cases it is pulled out whereas in others it is stabilized at the turning point.

Scattering angle = 164 degrees D2(v′ = 3, j′ = 0) Trajectory 3 Impact parameter = 0.130 Å Scattering angle = 164 degrees Supplementary Video 1

Scattering angle = 134 degrees D2(v′ = 3, j′ = 0) Trajectory 4 Impact parameter = 0.282 Å Scattering angle = 134 degrees Supplementary Video 2

Scattering angle = 107 degrees D2(v′ = 3, j′ = 0) Trajectory 6 Impact parameter = 0.424 Å Scattering angle = 107 degrees Supplementary Video 3

Scattering angle = 56 degrees D2(v′ = 3, j′ = 0) Trajectory 8 Impact parameter = 0.716 Å Scattering angle = 56 degrees Supplementary Video 4

Scattering angle = 40 degrees D2(v′ = 3, j′ = 0) Trajectory 10 Impact parameter = 0.813 Å Scattering angle = 40 degrees Supplementary Video 5

Scattering angle = 2 degrees D2(v′ = 3, j′ = 0) Trajectory 11 Impact parameter = 0.999 Å Scattering angle = 2 degrees Supplementary Video 6