The Slater-Roothaan Method

The Slater-Roothaan method uses solid-harmonic Gaussians [18] to fit the molecular orbitals and five other nonnegative quantities, namely the total density, the cube root of the partitioned density for both spins, and the 2/3 power of the partitioned density for both spins. They are treated as five additional orbitals of the totally symmetric irreducible representation. Changing them slightly does not affect the robust energy at all. 

The commercial code Turbomole [23] uses variational, but not robust, fitting of the charge density. Therefore, it uses very large fitting bases, including g 

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Quantum-Chemical Dynamics with the Slater-Roothaan Method... 

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