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| documentation:language_reference:functions:angularmomentumoperators [2026/11/12 09:25] – created Maurits W. Haverkort | documentation:language_reference:functions:angularmomentumoperators [2026/11/12 09:29] (current) – Maurits W. Haverkort |
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| //AngularMomentumOperators(NF, IndexUp, IndexDn)// returns a table with the angular momentum, multipole, Slater and Casimir operators of a single shell. It adds no functionality: every entry can also be created one at a time with //[[documentation:language_reference:functions:newoperator|NewOperator()]]//. It only shortens scripts, by replacing the block of thirty //NewOperator// calls that a multiplet calculation normally starts with by a single line. | //AngularMomentumOperators(NF, IndexUp, IndexDn)// returns a table with the angular momentum (L,S,J), multipole (T,Q), Slater and Casimir operators of a single shell. It adds no functionality: every entry can also be created one at a time with //[[documentation:language_reference:functions:newoperator|NewOperator()]]//. It only shortens scripts, by replacing the block of thirty //NewOperator// calls that a multiplet calculation normally starts with by a single line. |
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| All operators are created in the basis of spherical harmonics and rotated from there with a single rotation matrix, so a Slater integral $F^k$ keeps its meaning whichever basis is asked for. | All operators are standardly created in the basis of [[physics_chemistry:orbitals:y|complex spherical harmonics]]. With the use of options one can change the local basis to a [[physics_chemistry:orbitals:z|tesseral]], [[physics_chemistry:orbitals:k|cubic]] or [[physics_chemistry:orbitals:j|j-jz]] coupled basis. |
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