Molecule Types Asymmetric Tops Transition Moments

Asymmetric Top Rotational Transition Moment

This represents the interaction of the molecular rotational magnetic moment with an external magnetic field, and is typically written in spherical tensor notation as:

μ_NB.Σ_k=0..2(-1)^k((2k+1)/3)^½T¹(gr^k,S)

Note that all the parameters have units of Nuclear Magnetons; published values will often use Bohr Magnetons. Normally only the diagonal terms, g_r^aa, g_r^bb and g_r^cc, are determined.

Parameters

graa	g_r^aa; Default is 0 Nuclear Magnetons
grbb	g_r^bb;Default is 0 Nuclear Magnetons
grcc	g_r^cc;Default is 0 Nuclear Magnetons
grabbar	½(g_r^ab + g_r^ba); Default is 0 Nuclear Magnetons.
gracbar	½(g_r^ac + g_r^ca); Default is 0 Nuclear Magnetons.
grbcbar	½(g_r^bc + g_r^cb); Default is 0 Nuclear Magnetons.
gramb	g_r^ab - g_r^ba; Default is 0 Nuclear Magnetons.
gramc	g_r^ac - g_r^ca; Default is 0 Nuclear Magnetons.
grbmc	g_r^bc - g_r^cb; Default is 0 Nuclear Magnetons.