Table 4.
Reorganization energy (E h, E e) and integral charge transfer (t e, t h) of holes and electrons of styrene monomer calculated using the B3LYP and methods. (Values are given in eV.)
parameters | B3LYP | |
---|---|---|
E e | 0.393 | 0.490 |
E h | 0.295 | 0.380 |
t e | 0.430 | 0.441 |
t h | 0.375 | 0.402 |