Table A08-m4bii1-T1
| Ionic-potential parameters |
Covalent-potential parameters |
= 0.4083.a |
= 273.h |
= 6.4313.a |
= 73.i |
| Cion = 11.3 eV6.b |
Ccov =1000 eV6.j |
| Aion = 1913.6 (2760l) eV.c |
Acov =3150 eV .j |
= 0.3489.d |
=0.435 .j |
= 3.11 + eV.e |
| re = 2.71143 (2.664l).f |
Coupling parameters |
= 2.075eV.g |
H12 = 0.065 eV (0.0024 a.u. k) |
|
Hrot = 3 x 10-17 (0.04 a.u. k) |
a Dipole polarizability, . b Van der Waals coefficient,
from the London formula: , where I2 is the second ionization potential of Na and A is the electron affinity of I. c
. d .
e Potential well depth, . f Internuclear equilibrium distance, . g From INa-AI. h . i Arbitrary value. j From the London formula: , where I is the first ionization potential. k Present work.
l Alternative value due to overdefinition of the potential curve.
|