Gaussian-Type Functions for Polyatomic Systems. II
The Journal of Chemical PhysicsPublished 1 February 1969
Sigeru Huzinaga, Yoshiko Sakai
Citations3,221
SJR quartileQ1
SJR score0.82
SNIP0.91
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Abstract
The use of a linear combination of Gaussian-type orbitals (CGTO), instead of an individual Gaussian-type orbital (GTO), as a unit of basis functions for large-scale molecular calculations, is discussed. A systematic construction of the CGTO basis functions is attempted and the results for the atoms from Li through Ar are reported.
Keywords
Chemistry
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