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Gaussian basis sets, convergence limit

Gaussian Basis Sets Exhibiting Systematic Convergence to the Complete Basis Set Limit... [Pg.195]

The present chapter is divided into five sections. First, the functional form of the basis functions is reviewed in Section 8.1. Next, we discuss Gaussian basis sets for Hartree-Fock calculations in Section 8.2 and for correlated calculations in Section 8.3. The convergence of the basis sets towards the basis-set limit is then examined in Section 8.4. Finally, in Section 8.5, we consider the problems associated with basis-set superposition errors, in particular in calculations of interaction energies. [Pg.287]


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See also in sourсe #XX -- [ Pg.126 ]

See also in sourсe #XX -- [ Pg.126 ]




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Basis convergence

Basis set convergence

Convergence limit

Gaussian basis

Gaussian basis set

Gaussian basis sets, convergence

Limit Gaussian

Limit sets

Setting limits

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