Units of NLO Calculations
Posted: Sat Jun 13, 2020 12:50 am
Hi all,
I'm confused about the units of various values in my NLO anaddb output file.
What are the units of Raman susceptibility? From the accompanying paper (10.1103/PhysRevB.71.125107) eqn. 28 suggests it would be something like bohr^(3/2), but that seems to contradict the Raman polarizability's usual units.
Next, what is the oscillator strength unit (eqn 42)? It says in a.u., 1 a.u.=253.2638413 m3/s2, but if it's units are the square of the mode polarity, shouldn't it be coolumb^2*bohr^2?
Cheers,
J
I'm confused about the units of various values in my NLO anaddb output file.
What are the units of Raman susceptibility? From the accompanying paper (10.1103/PhysRevB.71.125107) eqn. 28 suggests it would be something like bohr^(3/2), but that seems to contradict the Raman polarizability's usual units.
Next, what is the oscillator strength unit (eqn 42)? It says in a.u., 1 a.u.=253.2638413 m3/s2, but if it's units are the square of the mode polarity, shouldn't it be coolumb^2*bohr^2?
Cheers,
J