Molecular Quantum Numbers
Cases
The quantum numbers appropriate to molecules of different symmetries and in different electronic states are classified on a "case-by-case" basis into the following groups.
- dcs: Diatomic closed-shell molecules
- hunda: Hund's case (a) diatomics
- hundb: Hund's case (b) diatomics
- ltcs: Closed-shell, linear triatomic molecules
- nltcs: Closed-shell, non-linear triatomics
- stcs: Closed shell, symmetric-top molecules
- lpcs: Closed-shell, linear polyatomic molecules
- asymcs: Closed-shell, asymmetric top molecules
- asymos: Open-shell, asymmetric top molecules
- sphcs: Closed-shell, spherical-top molecules
- sphos: Open-shell, spherical-top molecules
- ltos: Open-shell,linear triatomic molecules
- lpos: Open-shell, linear polyatomic molecules
- nltos: Open-shell, non-linear triatomic