Molecule Types Asymmetric Tops Transition Moments

Asymmetric Top Orbital Transition Moment

This is in principle the interaction of the magnetic moment of the electron spin with an external magnetic field:

g_Sμ_BB.S

but is expressed as a tensor to allow for residual orbital angular momentum. It is typically written in spherical tensor notation as:

g_Sμ_BB.S - μ_BB.Σ_k=0..2(-1)^k((2k+1)/3)^½T¹(g_l^k,S)

The default has g_Saa = g_Sbb = g_Scc = g_S = 2.0023193043622, which corresponds to the first term in this expression. All the parameters have units of Bohr magnetons.

Parameters

gsaa	g_S^aa; Default is 2.0023193043622 Bohr magnetons
gsbb	g_S^bb;Default is 2.0023193043622 Bohr magnetons
gscc	g_S^cc;Default is 2.0023193043622 Bohr magnetons
gsabbar	½(g_S^ab + g_S^ba); Default is 0 Bohr magnetons.
gsacbar	½(g_S^ac + g_S^ca); Default is 0 Bohr magnetons.
gsbcbar	½(g_S^bc + g_S^cb); Default is 0 Bohr magnetons.
gsamb	g_S^ab - g_S^ba; Default is 0 Bohr magnetons.
gsamc	g_S^ac - g_S^ca; Default is 0 Bohr magnetons.
gsbmc	g_S^bc - g_S^cb; Default is 0 Bohr magnetons.