State Details Window
This window shows the Hamiltonian matrix and the eigenvalues for
particular state (upper or lower), J
Selecting the State
|Selects a state or manifold, (for a particular isotope, if
||Required total angular momentum, (or M if a static field is
||Required symmetry - valid values depend on molecular point
||Uncheck this box to exclude perturbations from the
||Set how many nuclear and electron spins to exclude from
The Hamiltonian Matrix
This shows the Hamiltonian Matrix before diagonalisation.Note the
basis states in the row and column headings, and the key to the
state quantum numbers on the right.
The Energy Levels and Eigenvectors
This shows the energy levels (second white column), the quantum
numbers for the levels (first column, with the key to the quantum
numbers on the top right) and the
corresponding coefficients (subsequent columns). The columns are
labeled by basis state, as in the Hamiltonian matrix.
||If this is set to a number, n,
then it shows the n
coefficients in the eigenvector.
Eigenvectors Popup Menu
Right clicking on an eigenvector brings up a menu with the following
See Non-Boltzmann Populations for use of
the population selection items.