Floating s- and p-type Gaussian Orbitals

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Floating s- and p-type Gaussian Orbitals

The advantages of including a small number of p-type gaussian functions in a floating spherical gaussian orbital calculation are pointed out and illustrated by calculations on molecules which previously have proved to be troublesome. These include molecules such as F2 with multiple lone pairs and C2...

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Bibliographic Details
Main Authors:	Brailsford, David F., Hall, G. G., Hemming, N., Martin, D.
Format:	Article
Published:	Elsevier 1975
Subjects:	SCF Frost Model floating gaussian orbitals p-type gaussians
Online Access:	https://eprints.nottingham.ac.uk/324/

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