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- Euler angles : three rotation angles that describe any rotation of a 3-dimensional object.
- Imaginary number : In mathematics, a complex number whose square is a negative real number, or (sometimes) more generally a non-real complex number.
- Molecular Hamiltonian : Quantum mechanical operator describing the energy associated with motions and interactions of the electrons and nuclei that constitute a molecule.
- Rigid rotor : A 3-dimensional rigid object rotating around its center of mass.
- Slater determinant : A form for the wavefunction of a multi-fermionic system that satisfies anti-symmetry requirements, and consequently the Pauli exclusion principle, by changing sign upon exchange of fermions.
- Spherical harmonics : A series of harmonic basis functions that can be used to describe the boundary of objects with spherical topology.
- Stark effect : The shifting and splitting of spectral lines of atoms and molecules due to the presence of an external static electric field.