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Symmetry restrictions in the spin-orbital basis

Having seen the need for restricted spin-orbital rotations, let us first see how the antisymmetric k operator (3.2.6) [Pg.90]

Since k in (3.3.4) must be anti-Hermitian, the number of independent spin-orbital excitation parameters KpQ in a basis of M spin orbitals becomes [Pg.91]

For the optimization of M real spin orbitals, it is sufficient to consider the real part of k and ignore the phase factors. The resulting spin-orbital operator [Pg.91]


See other pages where Symmetry restrictions in the spin-orbital basis is mentioned: [Pg.90]   


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Basis orbitals

Orbital symmetry

Orbitals restricted

Orbitals symmetry

Restricted spin orbitals

Spin symmetry

Symmetry restrictions

The Orbitals

The Symmetry

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