A note on versions:The version presented here may differ from the published version or from the version of record. If you wish to cite this item you are advised to consult the publisher's version. Please see the repository url above for details on accessing the published version and note that access may require a subscription.For more information, please contact eprints@nottingham.ac.uk COLOPHONThe attached paper is another in my series of experiments to see how long it takes me to re-build electronic versions of my published early papers as properly re-typeset 'PDF Normal' rather than just as a bitmap scan.This particular paper appeared in the journal "Chemical Physics Letters" (Elsevier) in 1975. The canonical published version is available online (to subscribers, or for one-off purchase) as a scanned bitmap PDF via: http://www.sciencedirect.com/ The text was acquired by scanning the paper from an offprint and then using Readiris OCR on the resulting TIFF files. The paper was then re-typeset using UNIX troff suite to set up the correct typeface (Times) and to get the line and page breaks as accurate as possible. The tables were re-set using the tbl pre-processor for troff.The time taken to build this paper (over several lunchtimes …) to a reconstituted 'final draft' form was about 4 hours. 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 F 2 with multiple lone pairs and C 2 H 2 with multiple bonds. A feature of the results is the excellent correlation between the orbital energies and those of a double zeta calculation reported by Snyder and Basch.
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