Table 2. Polarizabilities of H2Pc under Different EEFs.
EEF/a.u. | α/a.u. | Δα/a.u. | β0/a.u. | vdW volume/Å3 |
---|---|---|---|---|
0 | 654 | 695 | 0 | 594.56 |
–0.005 | 655 | 694 | 762 | 594.66 |
–0.010 | 657 | 691 | 1540 | 595.13 |
–0.015 | 660 | 682 | 2392 | 595.90 |
–0.020 | 671 | 636 | 5396 | 597.20 |
–0.025 | 1714 | 943 | 15578 | 641.97 |