Angular Momentum Operations

GTPack [1,2] contains various modules to handle angular momentum operators and representations.

GTJxgives the x component of the total angular momentum operator
GTJygives the y component of the total angular momentum operatorXXXX
GTJzgives the z component of the total angular momentum operator

The components of the total angular momentum operator in terms of matrix representations acting on a finite sub space indexed by the total angular momentum quantum number J.

Components of the total angular momentum operator
Verify commutation relations.
GTJplusgives the raising operator
GTJminusgives the lowering operator

The raising operator acts as J+|j; m> = |j; m+1>

The lowering operator acts as J-|j; m> = |j; m-1>

J+ and J- are related to Jx and Jy:

J+= Jx + i Jy

J-= Jx - i Jy

Matrix representations
Define a state vector
Verify action of J+ and normalization.
Verify action of J+ as a raising operator:
Verify action of J- as a lowering operator:
Verify commutation relations
Verify relation to Jx and Jy
GTJTransformapplies a symmetry transformation to the basis functions of an irreducible representation of O(3)
GTJMatrixgives the representation matrix of a symmetry element for an irreducible representation of O(3)
GTJTransform and GTJMatrix are closely related. While GTJTransform gives the action of a symmetry element on one specific basis function, GTJMatrix gives the transformation matrix of the entire subspace.
GTAngularMomentumRepapplies a symmetry transformation to the basis functions of an irreducible representation of O(3)
GTAngularMomentumCharsgives the representation matrix of a symmetry element for an irreducible representation of O(3)

For the implementation of irreducible representations of O(3), SO(3) and SU(2) we follow [1].

[1] Altman, S. L., Rotations, quaternions, and double groups. Chapter 14. Clarendon, 1986

Install the point group Oh (GTInstallGroup)
Calculate the character Table (GTCharacterTable)
Calculate the character system of a single s, p, and d electron
Calculate the qualitative splitting in a cubic crystal field
Calculate a matrix representation for d-electrons