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. 2016 Apr 29;6:25083. doi: 10.1038/srep25083

Table 2. Numerical parameters used in the TDWP calculations. (Atomic units are used).

Li(2p) + H2(X1Σ+g) → LiH(X1Σ+) + H
Grid/basis range and size R ∈ [0.01, 15.0], NR = 149
r ∈ [0.01, 15.0], Nr = 149
Nj = 69
Initial wave packet Inline graphic Rc = 10.0
Inline graphic = 0.25
Inline graphic with E0 = 0.5 eV
Total propagation time 40000 iterations
Highest J value 65