====== OrbitalRotationMatrix ====== ### OrbitalRotationMatrix(oldOrbitals, newOrbitals) takes two lists of strings which it tries to interpret as atomic orbitals (compare //[[documentation:language_reference:functions:CreateAtomicIndicesDict|CreateAtomicIndicesDict()]]//). It then returns the matrix that rotates from the first basis set to the second one, taking permutations as well as changes from relativistic to non-relativistic orbitals into account (assuming spherical harmonics for non-relativistic orbitals). ### ===== Input ===== * oldOrbitals : List or Strings * newOrbitals : List of Strings ===== Output ===== * R : Rotation Matrix ===== Example ===== ### A very short example (to the point of nonexistence): ### ==== Input ==== -- some example code ==== Result ==== text produced as output ===== Table of contents ===== {{indexmenu>.#1}}