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. 2016 Oct 13;37(31):2687–2700. doi: 10.1002/jcc.24494

Figure 1.

Figure 1

Transitions among adjacent virtual states. Presuming that the system is at the filled‐circle position, where potential energy is ER and the virtual state belongs to vi, then, the virtual state might jump to vi+1 without changing atomic positions (i.e., without changing ER). Its transition probability is given in eq. (7). However, when the system is at the open‐circle position, the virtual state might transition to vi1.