15 lines
536 B
Plaintext
15 lines
536 B
Plaintext
PSI/88 Version 1.0 by W. L. Jorgensen & D. L. Severance
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To plot wavefunctions in three dimensions from
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semi-empirical and most popular ab initio basis sets.
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Valence semi-empirical, STO-3G, 3-21++G(*) and
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6-31++G(d,p) basis sets are implemented for atoms
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H-Ar.
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On-line manual is available at this web site.
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You can also download the source code of psi88 from
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the above site as a ``psi88.tar.gz''. When you do ungzip and
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untar this archive, you will obtain some documents and
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the ``psi88.tar.Z'' file which is required at this port.
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