A program for Quantum Symbolic Symmetry
Capabilities
Using the Burnside–Dixon algorithm, QSym² can compute character tables symbolically on-the-fly for any finite group.
With bespoke character tables, QSym² can handle degeneracy faithfully without recourse to Abelian subgroups.
Via an orbit-based representation analysis method, QSym² can characterise the linear spans of symmetry-broken quantities.
By means of fictitious special atoms, QSym² can perform symmetry analysis in the presence of electric and magnetic fields.
Via a proper treatment of anti-unitary operators, QSym² can analyse magnetic symmetry using Wigner's corepresentation theory.
By explicit spin rotations, QSym² can handle projective (or double-valued) representations and corepresentations.
Adoptors
QUEST employs QSym² to perform symmetry analysis for many of its electronic-structure calculations in the presence of external fields.
QUEST View utilises QSym² as a backend to compute the unitary and anti-unitary symmetry elements that it visualises.