Gaussian basis set for molecular wavefunctions containing second-row atoms

A. Veillard

doi:10.1007/BF00525918

Theoretica Chimica Acta

Paper

01 Jan 1968

Gaussian basis set for molecular wavefunctions containing second-row atoms

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Abstract

A Gaussian basis set consisting of 12 s-type and 9 p-type functions has been optimized for the second-row atoms. Energy values are also reported for different contractions of this basis set. © 1968 Springer-Verlag.

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Limited-basis-set hartree-fock theory of NiF64-

H.M. Gladney, A. Veillard

Physical Review

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Correlation energy in atomic systems. IV. Degeneracy effects

E. Clementi, A. Veillard

The Journal of Chemical Physics

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Quantum mechanical calculations on barriers to internal rotation - II. The borazane molecule BH₃-NH₃

M.-Cl Moireau, A. Veillard

Theoretica Chimica Acta

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Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane

A. Veillard

Chemical Physics Letters

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