Molecule Types Asymmetric Tops Transition Moments <Prev Next>

Asymmetric Top Orbital Transition Moment

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

gSμBB.S

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

gSμBB.S - μBBk=0..2(-1)k((2k+1)/3)½T1(glk,S)

The default has gSaa = gSbb = gScc = gS =  2.0023193043622, which corresponds to the first term in this expression. All the parameters have units of Bohr magnetons.

Parameters

gsaa gSaa; Default is 2.0023193043622 Bohr magnetons
gsbb gSbb; Default is 2.0023193043622 Bohr magnetons
gscc gScc; Default is 2.0023193043622 Bohr magnetons
gsabbar ½(gSab + gSba); Default is 0 Bohr magnetons.
gsacbar ½(gSac + gSca); Default is 0 Bohr magnetons.
gsbcbar ½(gSbc + gScb); Default is 0 Bohr magnetons.
gsamb gSab - gSba; Default is 0 Bohr magnetons.
gsamc gSac - gSca; Default is 0 Bohr magnetons.
gsbmc gSbc - gScb; Default is 0 Bohr magnetons.