metal for Δ < t+t';
Parameter set 1: a metal with EF = 0.5 eV;
Parameter set 2: a semiconductor (gap = 0.05 eV) with EF = 0.525 eV;
m* = h² /(t'a²) =
3.39×10-30 kg = 3.72 me
Call µ the reduced mass.
Rotational: Δµ/µ [=0.000309 for HBr];
Roto-vibrational: (A+C)/(1+B) [=0.000153 for HBr], with
A=[1-(µ/µ')1/2]
= ½ Δµ/µ,
B=ωrot/ωvib,
C=B Δµ/µ, where ωrot is a
shorthand for h/(µR²).
The C term is usually completely negligible, the B term is usually
also a small correction.