Molecule Types Asymmetric Tops Transition Moments <Prev Next>

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:

μNBk=0..2(-1)k((2k+1)/3)½T1(grk,S)

Note that all the parameters have units of nuclear magnetons but published values will often use Bohr magnetons. Normally only the diagonal terms, graa, grbb and grcc, are determined.

Parameters

graa graa; Default is 0 Nuclear magnetons
grbb grbb; Default is 0 Nuclear magnetons
grcc grcc; Default is 0 Nuclear magnetons
grabbar ½(grab + grba); Default is 0 Nuclear magnetons.
gracbar ½(grac + grca); Default is 0 Nuclear magnetons.
grbcbar ½(grbc + grcb); Default is 0 Nuclear magnetons.
gramb grab - grba; Default is 0 Nuclear magnetons.
gramc grac - grca; Default is 0 Nuclear magnetons.
grbmc grbc - grcb; Default is 0 Nuclear magnetons.