One of these is required for each electronic sate for which
vibrational structure is to be simulated. Mode specific settings
are contained in the Vibrational
Mode objects beneath the state, and possibly also Nuclear Co-ordinates for the
||Colour - set to "None" to take value from elsewhere.
||Only include given rovibronic symmetry - for normal use
set to 'all'
||Symmetry of electronic state
||Linewidth (rotation independent) for state.
||Spin-orbit coupling constant.
||Spin - spin coupling constant (=1.5*ε).
||Spin-spin coupling constant giving lambda doubling for
Omega = 0 states.
||Maximum energy to include in the vibrational basis.
Right click on the item in the constants
window for the following operations in addition to the
|Bring up the The l Matrix Window
for the current state.
|Show calculated state
information in the log window
|Fix Centre of Mass
||Shift atomic co-ordinates so
centre of mass is at the origin
co-ordinates to be correctly normalized.
||As "Fix Centre of Mass" and "Normalize", but
also force the normal modes to be orthogonal to all the
other normal modes, including translation and rotation.